1-Benzylpiperidin-4-ol (HCID 78461)

Names & identifiers

Preferred name: 1-Benzylpiperidin-4-ol
IUPAC: 1-benzylpiperidin-4-ol
English name: 1-Benzyl-4-hydroxypiperidine
Molecular formula: C12H17NO
Molecular weight: 191.27

Names & synonyms

1-Benzylpiperidin-4-olEINECS 225-226-9NSC 72991DTXSID80197083RefChem:430039DTXCID90119574225-226-91-Benzyl-4-hydroxypiperidine4727-72-41-Benzyl-4-piperidinolN-Benzyl-4-hydroxypiperidine1-Benzyl-piperidin-4-ol

Show more names

N-BENZYL-4-PIPERIDINOLCompound Fr12729benzyl-4-piperidinolLABOTEST-BB LT00159455Revefenacin Impurity 334-Piperidinol, 1-benzyl-1-Benzyl-4-hydroxypiperide

4-Piperidinol, 1-(phenylmethyl)-4-hydroxy-n-benzylpiperidineMFCD000065031-(Phenylmethyl)-4-piperidinolN-benzylpiperidin-4-ol4-hydroxy-1-benzylpiperidine1-(phenylmethyl)piperidin-4-olCHEMBL4796237

Database identifiers

CAS: 4727-72-4
PubChem CID: 78461
DTXSID: DTXSID80197083
ChEMBL: CHEMBL4796237
EC Number: 225-226-9
Nikkaji: J31.374B

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 61 · 61-63 °C(lit.)
Boiling point: 127 · 127-128 °C2 mm Hg(lit.)
Density: 1.0096 · 1.0096 (rough estimate)
refractive index: 1.5212 · 1.5212 (estimate)
Flash point: 121 · 121-123°C/0.7mm
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol
pka: 14.87 · 14.87±0.20(Predicted)
form: Crystalline Powder
color: White to yellow
Sensitive: Hygroscopic
BRN: 146118 · 146118
InChI: InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey: BPPZXJZYCOETDA-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(O)CC1
CAS DataBase Reference: 4727 · 4727-72-4(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Piperidinol, 1-(phenylmethyl)-(4727-72-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,C,Xi,Xn
Risk Statements: 25 · 25-36/37/38-20/21/22
Safety Statements: 26 · 26-45-37/39-36
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 2 · 2
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (81.2%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 2
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,C,Xi,Xn
safety_code: 26-45-37/39-36
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesA piperidine based pesticide

Uses1-Benzyl-4-hydroxypiperidine was used as an alternative molecule to study the ligand concentration attached to the epoxy-activated Sepharose 6B.

Uses1-Benzyl-4-hydroxypiperidine is the reactant for synthesis of: Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist1 Fatty acid amide hydrolase inhibitors PI3 kinase-alpha inhibitors Flavonoid derivatives used as dual binding acetylcholinesterase inhibitors Urotensin-II receptor antagonists Rho kinase inhibitors.