5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one

C18H17Cl2NO — CID 10308723

IUPAC5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyWVXVQROVXZRMKH-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.98
Rot. Bonds3

About 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one

5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one (PubChem CID 10308723) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one
PubChem CID10308723
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyWVXVQROVXZRMKH-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
CID 10125999
5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one
CID 10236516
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324
3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]benzoic acid
CID 23022250
1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one
CID 23022152
1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
CID 24776493
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[1-(2,6-dichlorophenyl)-6-oxopiperidin-3-yl]propanamide
CID 23022285
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
methyl 2-[[1-(2,6-dimethylphenyl)-6-oxopiperidin-3-yl]methyl]benzoate
CID 23022220
1-[2,6-dichloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 91132393
4-benzylcycloheptan-1-one
CID 57223081
5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
CID 10172049

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one?
The IUPAC name of 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one (CID 10308723) is 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one.
What is the SMILES notation for 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one?
The canonical SMILES for 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one is O=C1CCC(Cc2ccccc2)CN1c1c(Cl)cccc1Cl.
What is the InChIKey of 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one?
The InChIKey is WVXVQROVXZRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one?
5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one has a molecular weight of 334.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one is sourced from PubChem (CID 10308723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).