3-cycloheptyl-5-methylpiperidine

C13H25N — CID 106781026

IUPAC3-cycloheptyl-5-methylpiperidine
SMILESCC1CNCC(C2CCCCCC2)C1
InChIInChI=1S/C13H25N/c1-11-8-13(10-14-9-11)12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyXOKJDSQOKRSIOA-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds1

About 3-cycloheptyl-5-methylpiperidine

3-cycloheptyl-5-methylpiperidine (PubChem CID 106781026) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-cycloheptyl-5-methylpiperidine.

Molecular Properties

Compound Name3-cycloheptyl-5-methylpiperidine
PubChem CID106781026
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-cycloheptyl-5-methylpiperidine
SMILESCC1CNCC(C2CCCCCC2)C1
InChIInChI=1S/C13H25N/c1-11-8-13(10-14-9-11)12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyXOKJDSQOKRSIOA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cycloheptyl-5-methylpiperidine 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 3-cycloheptyl-5-methylpiperidine?
The IUPAC name of 3-cycloheptyl-5-methylpiperidine (CID 106781026) is 3-cycloheptyl-5-methylpiperidine.
What is the SMILES notation for 3-cycloheptyl-5-methylpiperidine?
The canonical SMILES for 3-cycloheptyl-5-methylpiperidine is CC1CNCC(C2CCCCCC2)C1.
What is the InChIKey of 3-cycloheptyl-5-methylpiperidine?
The InChIKey is XOKJDSQOKRSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-8-13(10-14-9-11)12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3.
What are the key properties of 3-cycloheptyl-5-methylpiperidine?
3-cycloheptyl-5-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-5-methylpiperidine is sourced from PubChem (CID 106781026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).