4-Phenylpiperidine-4-methanol

HCID 77896CAS 4220-08-0

Substructure search Find similar structures

Basic information

Standard SMILES: OCC1(c2ccccc2)CCNCC1
InChIKey: YXDQCHJILIFZBY-UHFFFAOYSA-N
Molecular formula: C12H17NO
Average molar mass: 191.27 g/mol
Monoisotopic mass: 191.13101417

Names & identifiers

Preferred name: 4-Phenylpiperidine-4-methanol
IUPAC: (4-phenylpiperidin-4-yl)methanol
English name: 4-phenylpiperidine-4-methanol
Molecular formula: C12H17NO
Molecular weight: 191.27

Names & synonyms

4-Phenylpiperidine-4-methanolRefChem:526447224-161-3(4-phenylpiperidin-4-yl)methanol4220-08-04-Piperidinemethanol, 4-phenyl-4-Phenyl-4-hydroxymethylpiperidineMFCD000231502BVH85L4C3NSC-83236EINECS 224-161-3NSC 83236

Show more names

4-Phenyl-4-piperidinemethanol

BRN 1369948NSC83236UNII-2BVH85L4C3Oprea1_497251SCHEMBL1038938SCHEMBL2480511SCHEMBL6210838SCHEMBL6867538

Database identifiers

CAS: 4220-08-0
PubChem CID: 77896
DTXSID: DTXSID90195030
UNII: 2BVH85L4C3
EC Number: 224-161-3
Nikkaji: J77.429D

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 171 °C · 171 °C(Solv: acetone (67-64-1))
Boiling point: 323 · 323.0±35.0 °C(Predicted)
Density: 1.041 · 1.041±0.06 g/cm3(Predicted)
pka: 14.94 · 14.94±0.10(Predicted)
EWG's Food Scores: 1 · 1
FDA UNII: 2 BVH85L4C3 · 2BVH85L4C3
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H302-H315-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H302-H315-H335
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362