4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile

C17H23N3 — CID 21182326

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H23N3/c18-14-15-4-6-16(7-5-15)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-13H2
InChIKeyHHMBFPWAMKNJRW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.01
Rot. Bonds2

About 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile

4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile (PubChem CID 21182326) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
PubChem CID21182326
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H23N3/c18-14-15-4-6-16(7-5-15)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-13H2
InChIKeyHHMBFPWAMKNJRW-UHFFFAOYSA-N
XLogP3.01
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-piperidin-1-ylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile (CID 21182326) is 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile is N#Cc1ccc(N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile?
The InChIKey is HHMBFPWAMKNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-14-15-4-6-16(7-5-15)20-12-8-17(9-13-20)19-10-2-1-3-11-19/h4-7,17H,1-3,8-13H2.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile?
4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 21182326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).