3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile

C16H23N3 — CID 63256046

IUPAC3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
SMILESCC(N)C1CCCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(18)15-9-5-6-12-19(15)16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-10,12,18H2,1H3
InChIKeyGBNVKOHZIJTVBZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds4

About 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile

3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile (PubChem CID 63256046) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
PubChem CID63256046
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
SMILESCC(N)C1CCCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(18)15-9-5-6-12-19(15)16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-10,12,18H2,1H3
InChIKeyGBNVKOHZIJTVBZ-UHFFFAOYSA-N
XLogP2.84
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile 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-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539
3-[2-(hydroxymethyl)azepan-1-yl]-3-phenylpropanenitrile
CID 116634770
3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
CID 63255646
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
CID 63219905
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanenitrile
CID 102883437
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropanenitrile
CID 55117774
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 64589189

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile?
The IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile (CID 63256046) is 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile is CC(N)C1CCCCN1C(CC#N)c1ccccc1.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile?
The InChIKey is GBNVKOHZIJTVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(18)15-9-5-6-12-19(15)16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-10,12,18H2,1H3.
What are the key properties of 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile?
3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile has a molecular weight of 257.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile is sourced from PubChem (CID 63256046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).