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

C12H21F3N2 — CID 118303184

IUPAC1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
SMILESCN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyXNVFECUZAUAMMC-NSHDSACASA-N
MW250.31 g/mol
LogP2.35
Rot. Bonds2

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

1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine (PubChem CID 118303184) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
PubChem CID118303184
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
SMILESCN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyXNVFECUZAUAMMC-NSHDSACASA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
2,2,3,3,4,4,5-Heptafluoro-5-methyl-1-(4-methylcyclohexyl)pyrrolidine
CID 18538152
2,2,3,3,4,4,5,5-Octafluoro-1-(2-methylcyclohexyl)pyrrolidine
CID 20475975
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
4,4-Difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
4,4-Difluoro-1,2-di(propan-2-yl)pyrrolidine
CID 58779071
(3R)-5,5-difluoro-3-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 59074762
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 59556506
(2S,4S)-4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59610409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine (CID 118303184) is 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine is CN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The InChIKey is XNVFECUZAUAMMC-NSHDSACASA-N. The full InChI is InChI=1S/C12H21F3N2/c1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine has a molecular weight of 250.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 118303184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).