2-propan-2-yl-4-(trifluoromethyl)piperidine

C9H16F3N — CID 66330096

IUPAC2-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C9H16F3N/c1-6(2)8-5-7(3-4-13-8)9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyPDDUQFSIRWOXQC-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds1

About 2-propan-2-yl-4-(trifluoromethyl)piperidine

2-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 66330096) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID66330096
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C9H16F3N/c1-6(2)8-5-7(3-4-13-8)9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyPDDUQFSIRWOXQC-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
2,4,6-Trimethylpiperidine
CID 89562
2-Isopropylpiperidine
CID 4400212
2-(2-Methylpropyl)piperidine hydrochloride
CID 17389625
2,2,4,6-Tetramethylpiperidine
CID 95439
2,4-Diethylpiperidine
CID 21572693
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
rac-(2R,5R)-5-ethyl-2-methylpiperidine hydrochloride
CID 70625245
3-(1,1-Difluoroethyl)piperidine
CID 83854705
4-(3,3,3-Trifluoropropyl)piperidine
CID 83914999
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
2-(4-Methylpentyl)piperidine
CID 16638154

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)piperidine (CID 66330096) is 2-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is PDDUQFSIRWOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)8-5-7(3-4-13-8)9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(trifluoromethyl)piperidine?
2-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 66330096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).