(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol

C12H16ClNO — CID 24904413

IUPAC(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c13-12-6-2-1-4-10(12)8-14-7-3-5-11(15)9-14/h1-2,4,6,11,15H,3,5,7-9H2/t11-/m0/s1
InChIKeyPKMIPEBSHCNQCJ-NSHDSACASA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds2

About (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol

(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol (PubChem CID 24904413) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
PubChem CID24904413
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c13-12-6-2-1-4-10(12)8-14-7-3-5-11(15)9-14/h1-2,4,6,11,15H,3,5,7-9H2/t11-/m0/s1
InChIKeyPKMIPEBSHCNQCJ-NSHDSACASA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3R)-1-benzylazepan-3-ol
CID 124585423
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
CID 115879745
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol (CID 24904413) is (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol?
The InChIKey is PKMIPEBSHCNQCJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12-6-2-1-4-10(12)8-14-7-3-5-11(15)9-14/h1-2,4,6,11,15H,3,5,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol?
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol has a molecular weight of 225.72 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 24904413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).