(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride

C12H18ClNO — CID 171688498

IUPAC(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO.ClH/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10;/h1-5,11-14H,6-9H2;1H/t11-,12+;/m1./s1
InChIKeyXYDZNQQWTDYNFY-LYCTWNKOSA-N
MW227.73 g/mol
LogP1.62
Rot. Bonds2

About (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride

(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride (PubChem CID 171688498) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
PubChem CID171688498
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO.ClH/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10;/h1-5,11-14H,6-9H2;1H/t11-,12+;/m1./s1
InChIKeyXYDZNQQWTDYNFY-LYCTWNKOSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
3-benzyl-4-cycloheptylpiperidine
CID 79320588
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
CID 110129635
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
3-benzyl-4-(oxolan-3-yl)piperidine
CID 79321075
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
N-(2-benzylcyclopentyl)pyrrolidine-3-carboxamide
CID 119794025
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
CID 114451747
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
4-aminopiperidin-3-ol
CID 54373786

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride?
The IUPAC name of (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride (CID 171688498) is (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride is Cl.O[C@H]1CNCC[C@@H]1Cc1ccccc1.
What is the InChIKey of (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride?
The InChIKey is XYDZNQQWTDYNFY-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10;/h1-5,11-14H,6-9H2;1H/t11-,12+;/m1./s1.
What are the key properties of (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride?
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-benzylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 171688498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).