(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol

C23H30ClNO2 — CID 141142747

IUPAC(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1ccccc1-c1ccccc1Cl)C1CCCNC1
InChIInChI=1S/C23H30ClNO2/c1-27-16-7-6-14-23(26,18-9-8-15-25-17-18)21-12-4-2-10-19(21)20-11-3-5-13-22(20)24/h2-5,10-13,18,25-26H,6-9,14-17H2,1H3/t18?,23-/m0/s1
InChIKeyZWXZQJCZNQUJOI-IMMUGOHXSA-N
MW387.95 g/mol
LogP5.01
Rot. Bonds8

About (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol

(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 141142747) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID141142747
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1ccccc1-c1ccccc1Cl)C1CCCNC1
InChIInChI=1S/C23H30ClNO2/c1-27-16-7-6-14-23(26,18-9-8-15-25-17-18)21-12-4-2-10-19(21)20-11-3-5-13-22(20)24/h2-5,10-13,18,25-26H,6-9,14-17H2,1H3/t18?,23-/m0/s1
InChIKeyZWXZQJCZNQUJOI-IMMUGOHXSA-N
XLogP5.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.95
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
CID 67191270
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
CID 67190042
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190101
(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 59382913
(3-aminopyrrolidin-1-yl)-[3-[1-[2-(2-chlorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 24804835
(1S)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (CID 141142747) is (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is COCCCC[C@@](O)(c1ccccc1-c1ccccc1Cl)C1CCCNC1.
What is the InChIKey of (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is ZWXZQJCZNQUJOI-IMMUGOHXSA-N. The full InChI is InChI=1S/C23H30ClNO2/c1-27-16-7-6-14-23(26,18-9-8-15-25-17-18)21-12-4-2-10-19(21)20-11-3-5-13-22(20)24/h2-5,10-13,18,25-26H,6-9,14-17H2,1H3/t18?,23-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 387.95 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 141142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).