(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one

C24H22FNO — CID 67104940

IUPAC(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)C1
InChIInChI=1S/C24H22FNO/c1-24(20-7-3-2-4-8-20)14-15-26(23(27)17-24)22-9-5-6-19(16-22)18-10-12-21(25)13-11-18/h2-13,16H,14-15,17H2,1H3/t24-/m0/s1
InChIKeyDMZCMGWTPJYXTQ-DEOSSOPVSA-N
MW359.44 g/mol
LogP5.58
Rot. Bonds3

About (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one

(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one (PubChem CID 67104940) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one
PubChem CID67104940
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)C1
InChIInChI=1S/C24H22FNO/c1-24(20-7-3-2-4-8-20)14-15-26(23(27)17-24)22-9-5-6-19(16-22)18-10-12-21(25)13-11-18/h2-13,16H,14-15,17H2,1H3/t24-/m0/s1
InChIKeyDMZCMGWTPJYXTQ-DEOSSOPVSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 62300
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CID 71605072
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CID 100974914
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CID 101454647
CID 101454647
CID 129522102
CID 129522102
CID 137699946
CID 137699946
CID 137700126
CID 137700126
CID 16756072
CID 16756072
CID 710849
CID 710849
CID 1321088
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CID 10319503
CID 10319503

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one?
The IUPAC name of (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one (CID 67104940) is (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one.
What is the SMILES notation for (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one?
The canonical SMILES for (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one is C[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)C1.
What is the InChIKey of (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one?
The InChIKey is DMZCMGWTPJYXTQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22FNO/c1-24(20-7-3-2-4-8-20)14-15-26(23(27)17-24)22-9-5-6-19(16-22)18-10-12-21(25)13-11-18/h2-13,16H,14-15,17H2,1H3/t24-/m0/s1.
What are the key properties of (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one?
(4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one has a molecular weight of 359.44 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[3-(4-fluorophenyl)phenyl]-4-methyl-4-phenylpiperidin-2-one is sourced from PubChem (CID 67104940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).