(1-Benzylpiperidin-4-yl)methanol

HCID 736802CAS 67686-01-5

Substructure search Find similar structures

Basic information

Standard SMILES: OCC1CCN(Cc2ccccc2)CC1
InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N
Molecular formula: C13H19NO
Average molar mass: 205.3 g/mol
Monoisotopic mass: 205.14666423

Names & identifiers

Preferred name: (1-Benzylpiperidin-4-yl)methanol
IUPAC: (1-benzylpiperidin-4-yl)methanol
English name: (1-Benzyl-4-piperidyl)methanol
Molecular formula: C13H19NO
Molecular weight: 205.3

Names & synonyms

(1-benzylpiperidin-4-yl)methanol1-(phenylmethyl)-4-piperidinemethanolRefChem:392067614-102-367686-01-5(1-Benzyl-4-piperidyl)methanol1-Benzyl-4-piperidinemethanol(1-benzyl-4-piperidinyl)methanolMFCD008310144-Piperidinemethanol, 1-(phenylmethyl)-441011-20-71-Benzyl-4-(hydroxymethyl)piperidine

Show more names

6X-0704EC-000.1863MFCD13250103Oprea1_527183AE-641/14044007BUTTPARK 27\04-75RSSYY(Iberdomide)-1SDCCGMLS-0066148.P0011-Benzyl-4-hydroxymethyl

1-benzyl 4-piperidinemethanol1-benzylpiperidin-4-yl-methanolCHEMBL45293411-benzyl-4-hydroxymethyl piperidinen-benzyl-4-hydroxymethyl-piperidineAKOS0050675924-piperidinemethanol, 1-(phenylmethyl)-, hydrochloride1-Benzy-4-hydroxymethylpiperidine

Database identifiers

CAS: 67686-01-5
PubChem CID: 736802
DTXSID: DTXSID60353105
ChEMBL: CHEMBL4529341
UNII: DF3NB7LV3J
EC Number: 614-102-3
Nikkaji: J1.488.498J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 135 · 135-138°C (0.2 mmHg)
Density: 1.056 · 1.056±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 14.94 · 14.94±0.10(Predicted)
Appearance: White to yellow Oil
InChI: InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(CO)CC1
CAS DataBase Reference: 67686 · 67686-01-5(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,T
Risk Statements: 25 · 25
Safety Statements: 24 · 24/25-45
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

Safety data

wgk: WGK 3
hs_code: 2933399990
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
safety_code: 24/25-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P261-P305+P351+P338