[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone

C12H21NO3 — CID 82115266

IUPAC[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCC1CO)N1CCOCC1
InChIInChI=1S/C12H21NO3/c14-9-10-3-1-2-4-11(10)12(15)13-5-7-16-8-6-13/h10-11,14H,1-9H2
InChIKeyWRHBQVQAPZGKHM-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.64
Rot. Bonds2

About [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone

[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone (PubChem CID 82115266) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone
PubChem CID82115266
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCC1CO)N1CCOCC1
InChIInChI=1S/C12H21NO3/c14-9-10-3-1-2-4-11(10)12(15)13-5-7-16-8-6-13/h10-11,14H,1-9H2
InChIKeyWRHBQVQAPZGKHM-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone 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-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone (CID 82115266) is [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone is O=C(C1CCCCC1CO)N1CCOCC1.
What is the InChIKey of [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone?
The InChIKey is WRHBQVQAPZGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-9-10-3-1-2-4-11(10)12(15)13-5-7-16-8-6-13/h10-11,14H,1-9H2.
What are the key properties of [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone?
[2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone has a molecular weight of 227.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 82115266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).