5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine

C24H32N2O2 — CID 74071633

IUPAC5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2CC(Cc3ccccc3)NCC2C)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3
InChIKeyKOCPEPVBVOHQOZ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.43
Rot. Bonds6

About 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine

5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine (PubChem CID 74071633) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
PubChem CID74071633
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2CC(Cc3ccccc3)NCC2C)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3
InChIKeyKOCPEPVBVOHQOZ-UHFFFAOYSA-N
XLogP4.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine 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 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine (CID 74071633) is 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine is COc1ccc(N2CC(Cc3ccccc3)NCC2C)cc1OC1CCCC1.
What is the InChIKey of 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The InChIKey is KOCPEPVBVOHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3.
What are the key properties of 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine has a molecular weight of 380.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 74071633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).