1-(cyclohexylmethyl)-4-phenylpiperazine

C17H26N2 — CID 743404

IUPAC1-(cyclohexylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyPMEZNKKHVUVRIR-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-phenylpiperazine

1-(cyclohexylmethyl)-4-phenylpiperazine (PubChem CID 743404) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-phenylpiperazine
PubChem CID743404
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(cyclohexylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyPMEZNKKHVUVRIR-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-4-phenylpiperazine 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-(cyclohexylmethyl)-4-phenylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-phenylpiperazine (CID 743404) is 1-(cyclohexylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-phenylpiperazine is c1ccc(N2CCN(CC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-phenylpiperazine?
The InChIKey is PMEZNKKHVUVRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2.
What are the key properties of 1-(cyclohexylmethyl)-4-phenylpiperazine?
1-(cyclohexylmethyl)-4-phenylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-phenylpiperazine is sourced from PubChem (CID 743404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).