1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone

C9H14F3NO — CID 126758607

IUPAC1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(F)(F)F)CC1C
InChIInChI=1S/C9H14F3NO/c1-6-5-8(9(10,11)12)3-4-13(6)7(2)14/h6,8H,3-5H2,1-2H3
InChIKeyRTCLJHVZFZNNLJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds

About 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 126758607) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID126758607
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(F)(F)F)CC1C
InChIInChI=1S/C9H14F3NO/c1-6-5-8(9(10,11)12)3-4-13(6)7(2)14/h6,8H,3-5H2,1-2H3
InChIKeyRTCLJHVZFZNNLJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 126758607) is 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(F)(F)F)CC1C.
What is the InChIKey of 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is RTCLJHVZFZNNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-5-8(9(10,11)12)3-4-13(6)7(2)14/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 209.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).