1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine

C12H19F3N2 — CID 162570284

IUPAC1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine
SMILESCN1CCC(=C2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h2-9H2,1H3
InChIKeyJABFDZWERVSCNG-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.62
Rot. Bonds1

About 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine

1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine (PubChem CID 162570284) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine
PubChem CID162570284
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine
SMILESCN1CCC(=C2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h2-9H2,1H3
InChIKeyJABFDZWERVSCNG-UHFFFAOYSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,3,4,4,5,5-Hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine
CID 13196957
4-Fluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209697
5,5-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209701
4,4-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89210066
4,4-Difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
CID 146244449
4,4-Difluoro-1,5,6-trimethyl-2,3-dihydropyridine
CID 156082125
1-(1-Cyclobutylidene-3,3,3-trifluoropropyl)piperidine
CID 144208231
4,4-Difluoro-1-methyl-2-propan-2-ylidenepyrrolidine
CID 148521294
4-[2-(Difluoromethylidene)pyrrolidin-1-yl]-1-methylpiperidine
CID 154026269
1-(4,4,5,5,5-Pentafluoro-2-methylpent-2-en-3-yl)piperidine
CID 160565382

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine?
The IUPAC name of 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine (CID 162570284) is 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine.
What is the SMILES notation for 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine?
The canonical SMILES for 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine is CN1CCC(=C2CCCN2CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine?
The InChIKey is JABFDZWERVSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h2-9H2,1H3.
What are the key properties of 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine?
1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine has a molecular weight of 248.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-ylidene]piperidine is sourced from PubChem (CID 162570284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).