(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol

C24H30F3NO2 — CID 71163984

IUPAC(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1ccccc1-c1cccc(C(F)(F)F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C24H30F3NO2/c1-30-15-5-4-13-23(29,20-10-7-14-28-17-20)22-12-3-2-11-21(22)18-8-6-9-19(16-18)24(25,26)27/h2-3,6,8-9,11-12,16,20,28-29H,4-5,7,10,13-15,17H2,1H3/t20-,23+/m1/s1
InChIKeyLXWDXZKXUSBQCM-OFNKIYASSA-N
MW421.50 g/mol
LogP5.38
Rot. Bonds8

About (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol

(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol (PubChem CID 71163984) has the molecular formula C24H30F3NO2 and a molecular weight of 421.50 g/mol. Its IUPAC name is (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
PubChem CID71163984
Molecular FormulaC24H30F3NO2
Molecular Weight421.50 g/mol
Exact Mass421.22
IUPAC Name(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1ccccc1-c1cccc(C(F)(F)F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C24H30F3NO2/c1-30-15-5-4-13-23(29,20-10-7-14-28-17-20)22-12-3-2-11-21(22)18-8-6-9-19(16-18)24(25,26)27/h2-3,6,8-9,11-12,16,20,28-29H,4-5,7,10,13-15,17H2,1H3/t20-,23+/m1/s1
InChIKeyLXWDXZKXUSBQCM-OFNKIYASSA-N
XLogP5.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.38
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-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148
4-[(1S)-1-hydroxy-5-methoxy-1-piperidin-3-ylpentyl]-3-(3-methylphenyl)benzonitrile
CID 68849944
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(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
(1S)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338
(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
CID 67189286

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol?
The IUPAC name of (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol (CID 71163984) is (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol.
What is the SMILES notation for (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol?
The canonical SMILES for (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol is COCCCC[C@@](O)(c1ccccc1-c1cccc(C(F)(F)F)c1)[C@@H]1CCCNC1.
What is the InChIKey of (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol?
The InChIKey is LXWDXZKXUSBQCM-OFNKIYASSA-N. The full InChI is InChI=1S/C24H30F3NO2/c1-30-15-5-4-13-23(29,20-10-7-14-28-17-20)22-12-3-2-11-21(22)18-8-6-9-19(16-18)24(25,26)27/h2-3,6,8-9,11-12,16,20,28-29H,4-5,7,10,13-15,17H2,1H3/t20-,23+/m1/s1.
What are the key properties of (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol?
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol has a molecular weight of 421.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol is sourced from PubChem (CID 71163984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).