1-methyl-4-(trifluoromethyl)piperidine

C7H12F3N — CID 18711403

IUPAC1-methyl-4-(trifluoromethyl)piperidine
SMILESCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyGENRMUUSRZVCQV-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.89
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)piperidine

1-methyl-4-(trifluoromethyl)piperidine (PubChem CID 18711403) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)piperidine
PubChem CID18711403
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-methyl-4-(trifluoromethyl)piperidine
SMILESCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h6H,2-5H2,1H3
InChIKeyGENRMUUSRZVCQV-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)piperidine (CID 18711403) is 1-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)piperidine is CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is GENRMUUSRZVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)piperidine?
1-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 167.17 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 18711403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).