1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile

C15H18F3N3 — CID 60998906

IUPAC1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)11-20-14(10-19)7-4-8-21(12-14)9-13-5-2-1-3-6-13/h1-3,5-6,20H,4,7-9,11-12H2
InChIKeyLCGVAMXRKTXFTN-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.70
Rot. Bonds4

About 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile

1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile (PubChem CID 60998906) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile
PubChem CID60998906
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)11-20-14(10-19)7-4-8-21(12-14)9-13-5-2-1-3-6-13/h1-3,5-6,20H,4,7-9,11-12H2
InChIKeyLCGVAMXRKTXFTN-UHFFFAOYSA-N
XLogP2.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
CID 62588038
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
tert-butyl N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate
CID 69415751
4-(dimethylamino)-4-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 155429869
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile?
The IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile (CID 60998906) is 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile?
The canonical SMILES for 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile is N#CC1(NCC(F)(F)F)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile?
The InChIKey is LCGVAMXRKTXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)11-20-14(10-19)7-4-8-21(12-14)9-13-5-2-1-3-6-13/h1-3,5-6,20H,4,7-9,11-12H2.
What are the key properties of 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile?
1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile is sourced from PubChem (CID 60998906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).