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

C9H14F3NO — CID 126758608

IUPAC1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](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/t6?,8-/m1/s1
InChIKeyRTCLJHVZFZNNLJ-QFSRMBNQSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds

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

1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 126758608) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID126758608
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](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/t6?,8-/m1/s1
InChIKeyRTCLJHVZFZNNLJ-QFSRMBNQSA-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

Analyze 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 126758608) is 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CC[C@@H](C(F)(F)F)CC1C.
What is the InChIKey of 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is RTCLJHVZFZNNLJ-QFSRMBNQSA-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/t6?,8-/m1/s1.
What are the key properties of 1-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[(4R)-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-[(4R)-2-methyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).