1-cycloheptyl-4-(4-methylphenyl)piperazine

C18H28N2 — CID 782031

IUPAC1-cycloheptyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3
InChIKeyILNCLOLMDJZGOJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.84
Rot. Bonds2

About 1-cycloheptyl-4-(4-methylphenyl)piperazine

1-cycloheptyl-4-(4-methylphenyl)piperazine (PubChem CID 782031) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-cycloheptyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-(4-methylphenyl)piperazine
PubChem CID782031
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-cycloheptyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3
InChIKeyILNCLOLMDJZGOJ-UHFFFAOYSA-N
XLogP3.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.84
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-cycloheptyl-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-cycloheptyl-4-(4-methylphenyl)piperazine (CID 782031) is 1-cycloheptyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-cycloheptyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-cycloheptyl-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(C3CCCCCC3)CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-(4-methylphenyl)piperazine?
The InChIKey is ILNCLOLMDJZGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3.
What are the key properties of 1-cycloheptyl-4-(4-methylphenyl)piperazine?
1-cycloheptyl-4-(4-methylphenyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).