(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one

C27H27F2NO2 — CID 67105259

IUPAC(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
SMILESC[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccccc2)CC1=O
InChIInChI=1S/C27H27F2NO2/c1-19(20-7-9-21(10-8-20)24-12-11-23(28)17-25(24)29)30-15-13-27(14-16-31,18-26(30)32)22-5-3-2-4-6-22/h2-12,17,19,31H,13-16,18H2,1H3/t19-,27+/m0/s1
InChIKeyQAGUDQBWLZZWHT-UZTOHYMASA-N
MW435.51 g/mol
LogP5.64
Rot. Bonds6

About (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one

(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one (PubChem CID 67105259) has the molecular formula C27H27F2NO2 and a molecular weight of 435.51 g/mol. Its IUPAC name is (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
PubChem CID67105259
Molecular FormulaC27H27F2NO2
Molecular Weight435.51 g/mol
Exact Mass435.20
IUPAC Name(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
SMILESC[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccccc2)CC1=O
InChIInChI=1S/C27H27F2NO2/c1-19(20-7-9-21(10-8-20)24-12-11-23(28)17-25(24)29)30-15-13-27(14-16-31,18-26(30)32)22-5-3-2-4-6-22/h2-12,17,19,31H,13-16,18H2,1H3/t19-,27+/m0/s1
InChIKeyQAGUDQBWLZZWHT-UZTOHYMASA-N
XLogP5.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-aminoethyl)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)piperidin-2-one
CID 67104520
3-[(4S)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanenitrile
CID 67105449
1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-4-(2-oxopropyl)piperidin-2-one
CID 67105422
(4S)-1-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)-4-phenylpiperidin-2-one
CID 143832756
N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide
CID 67105164
1-[2-[(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-3-methylurea
CID 67105267
3-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propylurea
CID 67104508
4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one
CID 67105173
1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
CID 67104742
1-cyano-3-[2-[(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-methylguanidine
CID 87270689
3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 58109185
(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-6-propan-2-yl-1,3-oxazinan-2-one
CID 58109330

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one?
The IUPAC name of (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one (CID 67105259) is (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one.
What is the SMILES notation for (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one?
The canonical SMILES for (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one is C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccccc2)CC1=O.
What is the InChIKey of (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one?
The InChIKey is QAGUDQBWLZZWHT-UZTOHYMASA-N. The full InChI is InChI=1S/C27H27F2NO2/c1-19(20-7-9-21(10-8-20)24-12-11-23(28)17-25(24)29)30-15-13-27(14-16-31,18-26(30)32)22-5-3-2-4-6-22/h2-12,17,19,31H,13-16,18H2,1H3/t19-,27+/m0/s1.
What are the key properties of (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one?
(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one has a molecular weight of 435.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one is sourced from PubChem (CID 67105259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).