(3S)-1-benzylpiperidin-3-ol

C12H17NO — CID 693762

IUPAC(3S)-1-benzylpiperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyUTTCOAGPVHRUFO-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds2

About (3S)-1-benzylpiperidin-3-ol

(3S)-1-benzylpiperidin-3-ol (PubChem CID 693762) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3S)-1-benzylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-benzylpiperidin-3-ol
PubChem CID693762
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3S)-1-benzylpiperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyUTTCOAGPVHRUFO-LBPRGKRZSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoxonium Chloride
CID 29563
1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
N,N-Dibenzylethanolamine
CID 22657
1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-Benzylpiperidin-3-ol
CID 85773
N-Benzyl-N-methylethanolamine
CID 66876
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzylpiperidin-3-ol?
The IUPAC name of (3S)-1-benzylpiperidin-3-ol (CID 693762) is (3S)-1-benzylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-benzylpiperidin-3-ol?
The canonical SMILES for (3S)-1-benzylpiperidin-3-ol is O[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzylpiperidin-3-ol?
The InChIKey is UTTCOAGPVHRUFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-1-benzylpiperidin-3-ol?
(3S)-1-benzylpiperidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzylpiperidin-3-ol is sourced from PubChem (CID 693762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).