2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C16H19ClF3NO — CID 174513972

IUPAC2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClF3NO/c1-15(2,11-3-5-13(17)6-4-11)14(22)21-9-7-12(8-10-21)16(18,19)20/h3-6,12H,7-10H2,1-2H3
InChIKeyLTNXXJRBWULRIW-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.42
Rot. Bonds2

About 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one

2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 174513972) has the molecular formula C16H19ClF3NO and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID174513972
Molecular FormulaC16H19ClF3NO
Molecular Weight333.78 g/mol
Exact Mass333.11
IUPAC Name2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClF3NO/c1-15(2,11-3-5-13(17)6-4-11)14(22)21-9-7-12(8-10-21)16(18,19)20/h3-6,12H,7-10H2,1-2H3
InChIKeyLTNXXJRBWULRIW-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 174513972) is 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC(C)(C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is LTNXXJRBWULRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3NO/c1-15(2,11-3-5-13(17)6-4-11)14(22)21-9-7-12(8-10-21)16(18,19)20/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 333.78 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 174513972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).