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

C24H32FNO2 — CID 67191148

IUPAC(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)C1CCCNC1
InChIInChI=1S/C24H32FNO2/c1-18-8-5-9-19(16-18)23-21(11-6-12-22(23)25)24(27,13-3-4-15-28-2)20-10-7-14-26-17-20/h5-6,8-9,11-12,16,20,26-27H,3-4,7,10,13-15,17H2,1-2H3/t20?,24-/m0/s1
InChIKeyCLQVHUSSJDWAGH-JWIMYKKASA-N
MW385.52 g/mol
LogP4.81
Rot. Bonds8

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

(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 67191148) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID67191148
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)C1CCCNC1
InChIInChI=1S/C24H32FNO2/c1-18-8-5-9-19(16-18)23-21(11-6-12-22(23)25)24(27,13-3-4-15-28-2)20-10-7-14-26-17-20/h5-6,8-9,11-12,16,20,26-27H,3-4,7,10,13-15,17H2,1-2H3/t20?,24-/m0/s1
InChIKeyCLQVHUSSJDWAGH-JWIMYKKASA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.81
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

1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol
CID 69171937
[4-[3-fluoro-2-(3-methylphenyl)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid
CID 68692916
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
4-[(1S)-1-hydroxy-5-methoxy-1-piperidin-3-ylpentyl]-3-(3-methylphenyl)benzonitrile
CID 68849944
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-piperidin-3-ylbutyl] carbamate
CID 68723721
methyl N-[(4S)-4-[3-fluoro-2-(3-methoxyphenyl)phenyl]-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]carbamate
CID 91367127
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(1S)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338
[(1R,2R)-2-amino-2-methylcyclopropyl]-[(3R)-3-[(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 71164117
1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxy-1-(1-methylpiperidin-3-yl)pentan-1-ol
CID 143558326

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol (CID 67191148) is (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)C1CCCNC1.
What is the InChIKey of (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is CLQVHUSSJDWAGH-JWIMYKKASA-N. The full InChI is InChI=1S/C24H32FNO2/c1-18-8-5-9-19(16-18)23-21(11-6-12-22(23)25)24(27,13-3-4-15-28-2)20-10-7-14-26-17-20/h5-6,8-9,11-12,16,20,26-27H,3-4,7,10,13-15,17H2,1-2H3/t20?,24-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol?
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 385.52 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 67191148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).