3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile

C9H14F3N3 — CID 103367484

IUPAC3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
SMILESN#CC(CNN1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c10-9(11,12)8(6-13)7-14-15-4-2-1-3-5-15/h8,14H,1-5,7H2
InChIKeyNCULQJRQBNFDEJ-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.68
Rot. Bonds3

About 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile (PubChem CID 103367484) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
PubChem CID103367484
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
SMILESN#CC(CNN1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c10-9(11,12)8(6-13)7-14-15-4-2-1-3-5-15/h8,14H,1-5,7H2
InChIKeyNCULQJRQBNFDEJ-UHFFFAOYSA-N
XLogP1.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile 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-(2,2,2-Trifluoroethylamino)piperidine-4-carbonitrile
CID 69676102
N-(2,2-difluoroethyl)piperidin-1-amine
CID 83014390
N-(3,3,3-trifluoropropyl)piperidin-1-amine
CID 83014696
N-(4,4,4-trifluorobutyl)piperidin-1-amine
CID 83014903
2-[[(2,6-Dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367485
3-(Piperidin-1-ylamino)propanenitrile
CID 12469804
2-Methyl-3-(piperidin-1-ylamino)propanenitrile
CID 83013959

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile (CID 103367484) is 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile is N#CC(CNN1CCCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile?
The InChIKey is NCULQJRQBNFDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c10-9(11,12)8(6-13)7-14-15-4-2-1-3-5-15/h8,14H,1-5,7H2.
What are the key properties of 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile has a molecular weight of 221.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile is sourced from PubChem (CID 103367484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).