1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one

C13H23NO2 — CID 104550057

IUPAC1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1(O)CCCCCC1
InChIInChI=1S/C13H23NO2/c15-12-7-3-6-10-14(12)11-13(16)8-4-1-2-5-9-13/h16H,1-11H2
InChIKeyMRECYJZVWYQBDX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds2

About 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one

1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one (PubChem CID 104550057) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
PubChem CID104550057
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1(O)CCCCCC1
InChIInChI=1S/C13H23NO2/c15-12-7-3-6-10-14(12)11-13(16)8-4-1-2-5-9-13/h16H,1-11H2
InChIKeyMRECYJZVWYQBDX-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-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 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one (CID 104550057) is 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one is O=C1CCCCN1CC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
The InChIKey is MRECYJZVWYQBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12-7-3-6-10-14(12)11-13(16)8-4-1-2-5-9-13/h16H,1-11H2.
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one?
1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one is sourced from PubChem (CID 104550057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).