(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol

C22H25ClF3NO — CID 58737422

IUPAC(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@@H](CCc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClF3NO/c23-20-11-7-18(8-12-20)21(28)15-27-13-1-2-17(14-27)4-3-16-5-9-19(10-6-16)22(24,25)26/h5-12,17,21,28H,1-4,13-15H2/t17-,21+/m0/s1
InChIKeyWDFJGIDNZXNXBV-LAUBAEHRSA-N
MW411.90 g/mol
LogP5.74
Rot. Bonds6

About (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol

(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol (PubChem CID 58737422) has the molecular formula C22H25ClF3NO and a molecular weight of 411.90 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
PubChem CID58737422
Molecular FormulaC22H25ClF3NO
Molecular Weight411.90 g/mol
Exact Mass411.16
IUPAC Name(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@@H](CCc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClF3NO/c23-20-11-7-18(8-12-20)21(28)15-27-13-1-2-17(14-27)4-3-16-5-9-19(10-6-16)22(24,25)26/h5-12,17,21,28H,1-4,13-15H2/t17-,21+/m0/s1
InChIKeyWDFJGIDNZXNXBV-LAUBAEHRSA-N
XLogP5.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.90
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-[(3S)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737453
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
CID 158089024
CID 158089024
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501544
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
CID 142125213
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 82215837
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
acetonitrile;2-bromo-1-(4-chlorophenyl)ethanone;1-(4-chlorophenyl)-2-[3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone;3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 159411759
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol (CID 58737422) is (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol is O[C@H](CN1CCC[C@@H](CCc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol?
The InChIKey is WDFJGIDNZXNXBV-LAUBAEHRSA-N. The full InChI is InChI=1S/C22H25ClF3NO/c23-20-11-7-18(8-12-20)21(28)15-27-13-1-2-17(14-27)4-3-16-5-9-19(10-6-16)22(24,25)26/h5-12,17,21,28H,1-4,13-15H2/t17-,21+/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol?
(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol has a molecular weight of 411.90 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 58737422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).