2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

C21H33ClN4 — CID 10571609

IUPAC2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1
InChIInChI=1S/C21H33ClN4/c22-19-6-5-8-20(16-19)25-14-12-23(13-15-25)9-3-4-10-24-17-21-7-1-2-11-26(21)18-24/h5-6,8,16,21H,1-4,7,9-15,17-18H2
InChIKeyLFWNCOWKJQWIJF-UHFFFAOYSA-N
MW376.98 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (PubChem CID 10571609) has the molecular formula C21H33ClN4 and a molecular weight of 376.98 g/mol. Its IUPAC name is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
PubChem CID10571609
Molecular FormulaC21H33ClN4
Molecular Weight376.98 g/mol
Exact Mass376.24
IUPAC Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1
InChIInChI=1S/C21H33ClN4/c22-19-6-5-8-20(16-19)25-14-12-23(13-15-25)9-3-4-10-24-17-21-7-1-2-11-26(21)18-24/h5-6,8,16,21H,1-4,7,9-15,17-18H2
InChIKeyLFWNCOWKJQWIJF-UHFFFAOYSA-N
XLogP3.37
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine 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 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The IUPAC name of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (CID 10571609) is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The canonical SMILES for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is Clc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1.
What is the InChIKey of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The InChIKey is LFWNCOWKJQWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4/c22-19-6-5-8-20(16-19)25-14-12-23(13-15-25)9-3-4-10-24-17-21-7-1-2-11-26(21)18-24/h5-6,8,16,21H,1-4,7,9-15,17-18H2.
What are the key properties of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine has a molecular weight of 376.98 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 10571609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).