2-(piperidin-1-ylmethyl)cycloheptan-1-one

C13H23NO — CID 2829711

IUPAC2-(piperidin-1-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCCCC1
InChIInChI=1S/C13H23NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h12H,1-11H2
InChIKeyNIXLYLANGLRDGZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)cycloheptan-1-one

2-(piperidin-1-ylmethyl)cycloheptan-1-one (PubChem CID 2829711) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)cycloheptan-1-one
PubChem CID2829711
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(piperidin-1-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCCCC1
InChIInChI=1S/C13H23NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h12H,1-11H2
InChIKeyNIXLYLANGLRDGZ-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(piperidin-1-ylmethyl)cycloheptan-1-one 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 2-(piperidin-1-ylmethyl)cycloheptan-1-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)cycloheptan-1-one (CID 2829711) is 2-(piperidin-1-ylmethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)cycloheptan-1-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)cycloheptan-1-one is O=C1CCCCCC1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)cycloheptan-1-one?
The InChIKey is NIXLYLANGLRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h12H,1-11H2.
What are the key properties of 2-(piperidin-1-ylmethyl)cycloheptan-1-one?
2-(piperidin-1-ylmethyl)cycloheptan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)cycloheptan-1-one is sourced from PubChem (CID 2829711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).