5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one

C21H23F2NO — CID 142244835

IUPAC5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
SMILESCc1cc(C)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(C)c1
InChIInChI=1S/C21H23F2NO/c1-13-8-14(2)21(15(3)9-13)24-12-16(4-7-20(24)25)10-17-5-6-18(22)11-19(17)23/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3
InChIKeyYVQHEZZHTKYDHQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.88
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one

5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one (PubChem CID 142244835) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
PubChem CID142244835
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
SMILESCc1cc(C)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(C)c1
InChIInChI=1S/C21H23F2NO/c1-13-8-14(2)21(15(3)9-13)24-12-16(4-7-20(24)25)10-17-5-6-18(22)11-19(17)23/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3
InChIKeyYVQHEZZHTKYDHQ-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
CID 10172049
3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]benzoic acid
CID 23022250
ethyl 4-[[4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]-3,5-dimethylbenzoyl]amino]butanoate
CID 23022234
1-[2,6-dichloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 91132393
3-amino-1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-1-methylurea
CID 10288457
N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
CID 23022193
N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
CID 10288669
2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide
CID 23022188
ethyl 2-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]acetate
CID 23022253
5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one
CID 10236516
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one
CID 23022275

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one (CID 142244835) is 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one is Cc1cc(C)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(C)c1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one?
The InChIKey is YVQHEZZHTKYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c1-13-8-14(2)21(15(3)9-13)24-12-16(4-7-20(24)25)10-17-5-6-18(22)11-19(17)23/h5-6,8-9,11,16H,4,7,10,12H2,1-3H3.
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one?
5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one has a molecular weight of 343.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one is sourced from PubChem (CID 142244835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).