2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile

C17H25N3 — CID 116692385

IUPAC2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCCC1CCCCN1CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-16-10-6-7-12-20(16)13-11-17(19,14-18)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-13,19H2,1H3
InChIKeyREMDKTCXVZVNIH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile

2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile (PubChem CID 116692385) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
PubChem CID116692385
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
SMILESCCC1CCCCN1CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-16-10-6-7-12-20(16)13-11-17(19,14-18)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-13,19H2,1H3
InChIKeyREMDKTCXVZVNIH-UHFFFAOYSA-N
XLogP3.02
TPSA53.05 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
CID 104692736
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
CID 116692576
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692306
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
CID 83045205
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile (CID 116692385) is 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile is CCC1CCCCN1CCC(N)(C#N)c1ccccc1.
What is the InChIKey of 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile?
The InChIKey is REMDKTCXVZVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-16-10-6-7-12-20(16)13-11-17(19,14-18)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-13,19H2,1H3.
What are the key properties of 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile?
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).