(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol

C20H25ClN2O — CID 99936790

IUPAC(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol
SMILESO[C@@H](CCc1ccccc1)C1CCN(Cc2ccncc2Cl)CC1
InChIInChI=1S/C20H25ClN2O/c21-19-14-22-11-8-18(19)15-23-12-9-17(10-13-23)20(24)7-6-16-4-2-1-3-5-16/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15H2/t20-/m0/s1
InChIKeyINTDNNWBTSKXIU-FQEVSTJZSA-N
MW344.89 g/mol
LogP3.94
Rot. Bonds6

About (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol

(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol (PubChem CID 99936790) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol
PubChem CID99936790
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol
SMILESO[C@@H](CCc1ccccc1)C1CCN(Cc2ccncc2Cl)CC1
InChIInChI=1S/C20H25ClN2O/c21-19-14-22-11-8-18(19)15-23-12-9-17(10-13-23)20(24)7-6-16-4-2-1-3-5-16/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15H2/t20-/m0/s1
InChIKeyINTDNNWBTSKXIU-FQEVSTJZSA-N
XLogP3.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol with MolForge

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Related Compounds

(7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894426
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943
13-[1-(13-Pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecan-1-ol iodide
CID 10842120
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428
trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
CID 122181170
[4-Benzyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 16188295
(E)-7-phenyl-7-(3-pyridyl)-6-hepten-1-ol
CID 13417327
3-Pyridinemethanol, 2-chloro-alpha-phenyl-
CID 3061980
2-[2-(4-Chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide
CID 45263753
8-[(4-Chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 118740433

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol (CID 99936790) is (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol is O[C@@H](CCc1ccccc1)C1CCN(Cc2ccncc2Cl)CC1.
What is the InChIKey of (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The InChIKey is INTDNNWBTSKXIU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25ClN2O/c21-19-14-22-11-8-18(19)15-23-12-9-17(10-13-23)20(24)7-6-16-4-2-1-3-5-16/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15H2/t20-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
(1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol has a molecular weight of 344.89 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 99936790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).