1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine

C21H26ClN3 — CID 177373696

IUPAC1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
SMILESClc1ccccc1C1CCC(N2CCN(c3cccnc3)CC2)CC1
InChIInChI=1S/C21H26ClN3/c22-21-6-2-1-5-20(21)17-7-9-18(10-8-17)24-12-14-25(15-13-24)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2
InChIKeyXSKRJBXKIABYNQ-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine

1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine (PubChem CID 177373696) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
PubChem CID177373696
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
SMILESClc1ccccc1C1CCC(N2CCN(c3cccnc3)CC2)CC1
InChIInChI=1S/C21H26ClN3/c22-21-6-2-1-5-20(21)17-7-9-18(10-8-17)24-12-14-25(15-13-24)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2
InChIKeyXSKRJBXKIABYNQ-UHFFFAOYSA-N
XLogP4.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine 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 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine (CID 177373696) is 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine is Clc1ccccc1C1CCC(N2CCN(c3cccnc3)CC2)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The InChIKey is XSKRJBXKIABYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c22-21-6-2-1-5-20(21)17-7-9-18(10-8-17)24-12-14-25(15-13-24)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2.
What are the key properties of 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine has a molecular weight of 355.91 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)cyclohexyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 177373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).