1-cycloheptyl-4-methylpiperazine

C12H24N2 — CID 784281

IUPAC1-cycloheptyl-4-methylpiperazine
SMILESCN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C12H24N2/c1-13-8-10-14(11-9-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3
InChIKeyGXEWAQQSKFJHTL-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds1

About 1-cycloheptyl-4-methylpiperazine

1-cycloheptyl-4-methylpiperazine (PubChem CID 784281) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-cycloheptyl-4-methylpiperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-methylpiperazine
PubChem CID784281
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-cycloheptyl-4-methylpiperazine
SMILESCN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C12H24N2/c1-13-8-10-14(11-9-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3
InChIKeyGXEWAQQSKFJHTL-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-4-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 1-cycloheptyl-4-methylpiperazine?
The IUPAC name of 1-cycloheptyl-4-methylpiperazine (CID 784281) is 1-cycloheptyl-4-methylpiperazine.
What is the SMILES notation for 1-cycloheptyl-4-methylpiperazine?
The canonical SMILES for 1-cycloheptyl-4-methylpiperazine is CN1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-4-methylpiperazine?
The InChIKey is GXEWAQQSKFJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-13-8-10-14(11-9-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of 1-cycloheptyl-4-methylpiperazine?
1-cycloheptyl-4-methylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-methylpiperazine is sourced from PubChem (CID 784281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).