2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile

C17H25N3 — CID 116692306

IUPAC2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCNC(C#N)(CCN1CCCCC1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-15-8-6-7-12-20(15)13-11-17(14-18,19-2)16-9-4-3-5-10-16/h3-5,9-10,15,19H,6-8,11-13H2,1-2H3
InChIKeyQLKNHYRBZRRIFA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.89
Rot. Bonds5

About 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile

2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile (PubChem CID 116692306) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
PubChem CID116692306
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCNC(C#N)(CCN1CCCCC1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-15-8-6-7-12-20(15)13-11-17(14-18,19-2)16-9-4-3-5-10-16/h3-5,9-10,15,19H,6-8,11-13H2,1-2H3
InChIKeyQLKNHYRBZRRIFA-UHFFFAOYSA-N
XLogP2.89
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
4-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692549
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
CID 83045205
3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 62330903
4-(cyclopentylmethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692999
N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-(methylamino)-4-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylbutanenitrile
CID 116692652
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile (CID 116692306) is 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile is CNC(C#N)(CCN1CCCCC1C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile?
The InChIKey is QLKNHYRBZRRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-15-8-6-7-12-20(15)13-11-17(14-18,19-2)16-9-4-3-5-10-16/h3-5,9-10,15,19H,6-8,11-13H2,1-2H3.
What are the key properties of 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile?
2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).