Piperidin-4-ol

HCID 79341CAS 5382-16-1

Substructure search Find similar structures

Basic information

Standard SMILES: OC1CCNCC1
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: Piperidin-4-ol
IUPAC: piperidin-4-ol
English name: 4-Hydroxypiperidine
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

4-HydroxypiperidinePiperidin-4-ol4-PiperidinolKC61EA060XEINECS 226-373-1NSC 62083NSC-62083UNII-KC61EA060XAI3-391584-HYDROXYHEXAHYDROPYRIDINEDTXSID102020984-piperidinol (4-hydroxypiperidine)

Show more names

4PPOL4-piperidinylAURORA KA-1006Piperidine-4α-olPiperidine-4β-ol4-Hydropiperidine4-Piperidinol ,99%4-hydroxypiperdine

4piperidinolPiperidin4olRefChem:174423DTXCID10124589UN3263226-373-1HDOWRFHMPULYOA-UHFFFAOYSA-N5382-16-1

Database identifiers

CAS: 5382-16-1
PubChem CID: 79341
DTXSID: DTXSID10202098
ChEMBL: CHEMBL284022
UNII: KC61EA060X
EC Number: 226-373-1
Nikkaji: J86.548F

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 50

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionHygroscopic solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 86 · 86-90 °C
Boiling point: 108 · 108-114 °C/10 mmHg (lit.)
Density: 0.9903 · 0.9903 (rough estimate)
vapor pressure: 13 Pa · 13Pa at 25℃
refractive index: 1.44 · 1.4400 (estimate)
Flash point: 226 °F · 226 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 14.94 · 14.94±0.20(Predicted)
color: Off-White to pale Yellow
PH: 11.5 · 11.5-11.7 (H2O)Aqueous solution
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 102738 · 102738
InChI: 1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
SMILES: OC1CCNCC1
LogP: -0.35 at · -0.35 at 25℃
CAS DataBase Reference: 5382 · 5382-16-1(CAS DataBase Reference)
FDA UNII: 61 EA060X · KC61EA060X
NIST Chemistry Reference: 4 · 4-Hydroxypiperidine(5382-16-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: Xi,C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 26 · 26-36-37/39-45-36/37/39-27
RIDADR: 3263 · 3263
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (24.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 4-Piperidinol

Status: Active Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20857

4-Piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (24.4%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

wgk: 3
ridadr: 3263
hs_code: 29333999
risk_code: 36/37/38-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-37/39-45-36/37/39-27
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H315-H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications · 3 items

Uses4-Hydroxypiperidine (4-Piperidinol) can be used in the synthesis of a highly potent and selective IP (PGI(2) receptor) agonist. It can also be used in the study of copper-catalyzed N- versus O-arylation.

Uses4-Hydroxypiperidine is used as a reagent for the synthesis of acridine (A190900) derivatives and fibrinogen receptor antagonists.

General DescriptionThe molecular structure, vibrational spectra, NBO and UV-spectral analysis of 4-Hydroxypiperidine have been studied. The compounds with a substituted 4-piperidinol core have been found to be potent antagonists of the human H(3) receptor.