1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one

C14H16F3NO — CID 177029919

IUPAC1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one
SMILESCc1cccc(CN2C(=O)CCCC2C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-10-4-2-5-11(8-10)9-18-12(14(15,16)17)6-3-7-13(18)19/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyQFLOAONSHAOQMJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.44
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one

1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one (PubChem CID 177029919) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one
PubChem CID177029919
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one
SMILESCc1cccc(CN2C(=O)CCCC2C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-10-4-2-5-11(8-10)9-18-12(14(15,16)17)6-3-7-13(18)19/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyQFLOAONSHAOQMJ-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one (CID 177029919) is 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one is Cc1cccc(CN2C(=O)CCCC2C(F)(F)F)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is QFLOAONSHAOQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10-4-2-5-11(8-10)9-18-12(14(15,16)17)6-3-7-13(18)19/h2,4-5,8,12H,3,6-7,9H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one?
1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 271.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 177029919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).