2-benzylpiperidin-3-ol;hydrochloride

C12H18ClNO — CID 115036439

IUPAC2-benzylpiperidin-3-ol;hydrochloride
SMILESCl.OC1CCCNC1Cc1ccccc1
InChIInChI=1S/C12H17NO.ClH/c14-12-7-4-8-13-11(12)9-10-5-2-1-3-6-10;/h1-3,5-6,11-14H,4,7-9H2;1H
InChIKeyWKQZLZLSCYZTCQ-UHFFFAOYSA-N
MW227.73 g/mol
LogP1.76
Rot. Bonds2

About 2-benzylpiperidin-3-ol;hydrochloride

2-benzylpiperidin-3-ol;hydrochloride (PubChem CID 115036439) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-benzylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-benzylpiperidin-3-ol;hydrochloride
PubChem CID115036439
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-benzylpiperidin-3-ol;hydrochloride
SMILESCl.OC1CCCNC1Cc1ccccc1
InChIInChI=1S/C12H17NO.ClH/c14-12-7-4-8-13-11(12)9-10-5-2-1-3-6-10;/h1-3,5-6,11-14H,4,7-9H2;1H
InChIKeyWKQZLZLSCYZTCQ-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625
3-benzyl-1,4-oxazepan-2-ol
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4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
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2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829838
2-[(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829836
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
2-phenylpiperidin-3-ol
CID 18782643
3-benzyl-2-ethylpyrrolidine
CID 4543797
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
3-benzyl-1,4-diazepan-2-one
CID 78068532

Frequently Asked Questions

What is the IUPAC name of 2-benzylpiperidin-3-ol;hydrochloride?
The IUPAC name of 2-benzylpiperidin-3-ol;hydrochloride (CID 115036439) is 2-benzylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 2-benzylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 2-benzylpiperidin-3-ol;hydrochloride is Cl.OC1CCCNC1Cc1ccccc1.
What is the InChIKey of 2-benzylpiperidin-3-ol;hydrochloride?
The InChIKey is WKQZLZLSCYZTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-12-7-4-8-13-11(12)9-10-5-2-1-3-6-10;/h1-3,5-6,11-14H,4,7-9H2;1H.
What are the key properties of 2-benzylpiperidin-3-ol;hydrochloride?
2-benzylpiperidin-3-ol;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 115036439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).