2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile

C16H22N4 — CID 80553149

IUPAC2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H22N4/c17-11-13-3-1-2-4-16(13)20-10-7-15(12-20)19-8-5-14(18)6-9-19/h1-4,14-15H,5-10,12,18H2
InChIKeyNADVUWHXNBVQLW-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.56
Rot. Bonds2

About 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile

2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile (PubChem CID 80553149) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile
PubChem CID80553149
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H22N4/c17-11-13-3-1-2-4-16(13)20-10-7-15(12-20)19-8-5-14(18)6-9-19/h1-4,14-15H,5-10,12,18H2
InChIKeyNADVUWHXNBVQLW-UHFFFAOYSA-N
XLogP1.56
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile 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

2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 80553476
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
2-[(3S)-3-hydroxypyrrolidin-1-yl]benzonitrile
CID 55252376
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
2-[(3S)-3-aminopyrrolidin-1-yl]-4-phenylbenzonitrile;hydrochloride
CID 67060561
2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzonitrile
CID 104716921
2-[3-(1-aminoethyl)pyrrolidin-1-yl]benzonitrile
CID 103976657
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile (CID 80553149) is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile is N#Cc1ccccc1N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile?
The InChIKey is NADVUWHXNBVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-11-13-3-1-2-4-16(13)20-10-7-15(12-20)19-8-5-14(18)6-9-19/h1-4,14-15H,5-10,12,18H2.
What are the key properties of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile?
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile has a molecular weight of 270.38 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 80553149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).