1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one

C16H21F2NO — CID 62930219

IUPAC1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H21F2NO/c1-11(19-8-6-16(2,3)7-9-19)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyMQWBVCFQROJZIU-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.66
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one

1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 62930219) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
PubChem CID62930219
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H21F2NO/c1-11(19-8-6-16(2,3)7-9-19)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyMQWBVCFQROJZIU-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one (CID 62930219) is 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one is CC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is MQWBVCFQROJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-11(19-8-6-16(2,3)7-9-19)15(20)12-4-5-13(17)14(18)10-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one?
1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 281.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62930219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).