1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine

C17H26N2 — CID 2845220

IUPAC1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCC(C)C3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-14-3-6-16(7-4-14)18-9-11-19(12-10-18)17-8-5-15(2)13-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3
InChIKeyVSDGYWKRSROVPK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.31
Rot. Bonds2

About 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine

1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine (PubChem CID 2845220) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
PubChem CID2845220
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCC(C)C3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-14-3-6-16(7-4-14)18-9-11-19(12-10-18)17-8-5-15(2)13-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3
InChIKeyVSDGYWKRSROVPK-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine (CID 2845220) is 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(C3CCC(C)C3)CC2)cc1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine?
The InChIKey is VSDGYWKRSROVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-6-16(7-4-14)18-9-11-19(12-10-18)17-8-5-15(2)13-17/h3-4,6-7,15,17H,5,8-13H2,1-2H3.
What are the key properties of 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine?
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 2845220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).