4-methyl-3-(trifluoromethyl)piperidine

C7H12F3N — CID 84717185

IUPAC4-methyl-3-(trifluoromethyl)piperidine
SMILESCC1CCNCC1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyCDHFPJWHGHVQHY-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.79
Rot. Bonds

About 4-methyl-3-(trifluoromethyl)piperidine

4-methyl-3-(trifluoromethyl)piperidine (PubChem CID 84717185) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)piperidine
PubChem CID84717185
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4-methyl-3-(trifluoromethyl)piperidine
SMILESCC1CCNCC1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyCDHFPJWHGHVQHY-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylpiperidine
CID 202966
4-(Trifluoromethyl)piperidine
CID 136469
Piperidine, 4-(1-methylethyl)-
CID 140569
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,4-Dimethylpiperidine
CID 14454414
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
4-(Fluoromethyl)piperidine hydrochloride
CID 23110104
3-(Fluoromethyl)piperidine hydrochloride
CID 49761297
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 4-methyl-3-(trifluoromethyl)piperidine (CID 84717185) is 4-methyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)piperidine is CC1CCNCC1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)piperidine?
The InChIKey is CDHFPJWHGHVQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-2-3-11-4-6(5)7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)piperidine?
4-methyl-3-(trifluoromethyl)piperidine has a molecular weight of 167.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 84717185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).