(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol

C17H19ClN2O — CID 162634174

IUPAC(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(Cl)cn2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-14-6-7-15(19-10-14)11-20-9-8-16(17(21)12-20)13-4-2-1-3-5-13/h1-7,10,16-17,21H,8-9,11-12H2/t16-,17-/m1/s1
InChIKeyUOQOOUGNTLATCZ-IAGOWNOFSA-N
MW302.81 g/mol
LogP3.09
Rot. Bonds3

About (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol

(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol (PubChem CID 162634174) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol
PubChem CID162634174
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccc(Cl)cn2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-14-6-7-15(19-10-14)11-20-9-8-16(17(21)12-20)13-4-2-1-3-5-13/h1-7,10,16-17,21H,8-9,11-12H2/t16-,17-/m1/s1
InChIKeyUOQOOUGNTLATCZ-IAGOWNOFSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 162625989
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
(3S,4S)-1-(1,3-benzothiazol-7-ylmethyl)-4-phenylpiperidin-3-ol
CID 162626593
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
N-benzyl-2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 167974239
[(3S,4S)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]methanediol
CID 59438124
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol (CID 162634174) is (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol is O[C@@H]1CN(Cc2ccc(Cl)cn2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
The InChIKey is UOQOOUGNTLATCZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-6-7-15(19-10-14)11-20-9-8-16(17(21)12-20)13-4-2-1-3-5-13/h1-7,10,16-17,21H,8-9,11-12H2/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol?
(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol has a molecular weight of 302.81 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol is sourced from PubChem (CID 162634174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).