[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol

C14H28N2O2 — CID 70473628

IUPAC[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol
SMILESCC1CNCC(CCN2CCOCC2)CC1CO
InChIInChI=1S/C14H28N2O2/c1-12-9-15-10-13(8-14(12)11-17)2-3-16-4-6-18-7-5-16/h12-15,17H,2-11H2,1H3
InChIKeyVISNOVWMDGINOZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.56
Rot. Bonds4

About [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol

[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol (PubChem CID 70473628) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol
PubChem CID70473628
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol
SMILESCC1CNCC(CCN2CCOCC2)CC1CO
InChIInChI=1S/C14H28N2O2/c1-12-9-15-10-13(8-14(12)11-17)2-3-16-4-6-18-7-5-16/h12-15,17H,2-11H2,1H3
InChIKeyVISNOVWMDGINOZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol 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-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol?
The IUPAC name of [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol (CID 70473628) is [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol.
What is the SMILES notation for [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol?
The canonical SMILES for [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol is CC1CNCC(CCN2CCOCC2)CC1CO.
What is the InChIKey of [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol?
The InChIKey is VISNOVWMDGINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-9-15-10-13(8-14(12)11-17)2-3-16-4-6-18-7-5-16/h12-15,17H,2-11H2,1H3.
What are the key properties of [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol?
[3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-(2-morpholin-4-ylethyl)azepan-4-yl]methanol is sourced from PubChem (CID 70473628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).