(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol

C22H28ClNO — CID 142125213

IUPAC(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@](O)(CN1CCC[C@H](CCc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClNO/c1-22(25,20-11-13-21(23)14-12-20)17-24-15-5-8-19(16-24)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,19,25H,5,8-10,15-17H2,1H3/t19-,22+/m1/s1
InChIKeyWARBYHZYHYGSSK-KNQAVFIVSA-N
MW357.93 g/mol
LogP4.89
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol

(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol (PubChem CID 142125213) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
PubChem CID142125213
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@](O)(CN1CCC[C@H](CCc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClNO/c1-22(25,20-11-13-21(23)14-12-20)17-24-15-5-8-19(16-24)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,19,25H,5,8-10,15-17H2,1H3/t19-,22+/m1/s1
InChIKeyWARBYHZYHYGSSK-KNQAVFIVSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737422
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
CID 158089024
CID 158089024
(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-[(3S)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737453
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
1-iodo-3-(2-phenylethyl)piperidine
CID 57245811
3-[3-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 107229032
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-[2-(3-chlorophenyl)ethyl]-3-[2-(4-methylsulfinylphenyl)ethyl]piperidine
CID 164906162
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol (CID 142125213) is (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol is C[C@](O)(CN1CCC[C@H](CCc2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is WARBYHZYHYGSSK-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-22(25,20-11-13-21(23)14-12-20)17-24-15-5-8-19(16-24)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,19,25H,5,8-10,15-17H2,1H3/t19-,22+/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol?
(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 357.93 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 142125213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).