2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile

C17H25N3 — CID 116692281

IUPAC2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCC1CC(C)CN(CCC(N)(C#N)c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-14-10-15(2)12-20(11-14)9-8-17(19,13-18)16-6-4-3-5-7-16/h3-7,14-15H,8-12,19H2,1-2H3
InChIKeyVLMAGNRBKYFJRS-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile

2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile (PubChem CID 116692281) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
PubChem CID116692281
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCC1CC(C)CN(CCC(N)(C#N)c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-14-10-15(2)12-20(11-14)9-8-17(19,13-18)16-6-4-3-5-7-16/h3-7,14-15H,8-12,19H2,1-2H3
InChIKeyVLMAGNRBKYFJRS-UHFFFAOYSA-N
XLogP2.73
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amphetaminil
CID 28615
1-Benzyl-4-cyano-4-phenylpiperidine
CID 191408
3-(3-cyanophenyl)-N-n-propylpiperidine
CID 5119
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
2-Phenyl-2-piperidinoacetonitrile
CID 21989
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
2-Phenyl-2-(1-piperidinyl)propane
CID 210768
Piperidine, 1-(4-methyl-1-phenylcyclohexyl)-, TR
CID 210766
3-((S)-1-Propyl-piperidin-3-yl)-benzonitrile
CID 9816005
3-((S)-1-Isopropyl-piperidin-3-yl)-benzonitrile
CID 10105186
3-((S)-1-Methyl-piperidin-3-yl)-benzonitrile
CID 10330427
3-((S)-1-Ethyl-piperidin-3-yl)-benzonitrile
CID 10353207

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile (CID 116692281) is 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile is CC1CC(C)CN(CCC(N)(C#N)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile?
The InChIKey is VLMAGNRBKYFJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-10-15(2)12-20(11-14)9-8-17(19,13-18)16-6-4-3-5-7-16/h3-7,14-15H,8-12,19H2,1-2H3.
What are the key properties of 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile?
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).