3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol

C14H19Cl2NO — CID 11119744

IUPAC3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
SMILESOCCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-2-8-18)5-1-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1
InChIKeyRWSLGEHCZNXJBR-CQSZACIVSA-N
MW288.22 g/mol
LogP3.39
Rot. Bonds4

About 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol

3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol (PubChem CID 11119744) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
PubChem CID11119744
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
SMILESOCCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-2-8-18)5-1-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1
InChIKeyRWSLGEHCZNXJBR-CQSZACIVSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol
CID 20829678
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propanenitrile
CID 46245018
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
N-[2-[3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 68654177
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide
CID 46244927
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine
CID 46245260
[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate
CID 68653852
[1-[3-[3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 22741760
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
CID 46244139
[3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)piperidin-1-yl]-phenylmethanone
CID 22741724

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol (CID 11119744) is 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol is OCCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
The InChIKey is RWSLGEHCZNXJBR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-2-8-18)5-1-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1.
What are the key properties of 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol?
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 11119744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).