2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile

C14H20N4 — CID 117027563

IUPAC2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1NC1CCN(CCN)CC1
InChIInChI=1S/C14H20N4/c15-7-10-18-8-5-13(6-9-18)17-14-4-2-1-3-12(14)11-16/h1-4,13,17H,5-10,15H2
InChIKeyVYORXXXDFVWZEP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.39
Rot. Bonds4

About 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile

2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile (PubChem CID 117027563) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
PubChem CID117027563
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1NC1CCN(CCN)CC1
InChIInChI=1S/C14H20N4/c15-7-10-18-8-5-13(6-9-18)17-14-4-2-1-3-12(14)11-16/h1-4,13,17H,5-10,15H2
InChIKeyVYORXXXDFVWZEP-UHFFFAOYSA-N
XLogP1.39
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]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-(cyclopentylamino)benzonitrile
CID 10535560
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
2-nitro-3-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 104717791
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
4-chloro-2-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 43681516
2-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]benzonitrile
CID 126841981
4-bromo-2-[[1-(cyanomethyl)piperidin-4-yl]amino]benzonitrile
CID 114901231
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
2-(3-pyrrolidin-1-ylpropylamino)benzonitrile
CID 23324083
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
CID 75454004
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile (CID 117027563) is 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile is N#Cc1ccccc1NC1CCN(CCN)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile?
The InChIKey is VYORXXXDFVWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-7-10-18-8-5-13(6-9-18)17-14-4-2-1-3-12(14)11-16/h1-4,13,17H,5-10,15H2.
What are the key properties of 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile?
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 117027563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).