3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol

C12H25NO3 — CID 114495754

IUPAC3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CC(CO)OCC1C
InChIInChI=1S/C12H25NO3/c1-4-12(15,5-2)9-13-6-11(7-14)16-8-10(13)3/h10-11,14-15H,4-9H2,1-3H3
InChIKeyLJUCFTSHLRQHIZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.62
Rot. Bonds5

About 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol

3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol (PubChem CID 114495754) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
PubChem CID114495754
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CC(CO)OCC1C
InChIInChI=1S/C12H25NO3/c1-4-12(15,5-2)9-13-6-11(7-14)16-8-10(13)3/h10-11,14-15H,4-9H2,1-3H3
InChIKeyLJUCFTSHLRQHIZ-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol
CID 81213633
[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol
CID 81214331
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
[4-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-5-methylmorpholin-2-yl]methanol
CID 81212705
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol (CID 114495754) is 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CC(CO)OCC1C.
What is the InChIKey of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol?
The InChIKey is LJUCFTSHLRQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-12(15,5-2)9-13-6-11(7-14)16-8-10(13)3/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol?
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol is sourced from PubChem (CID 114495754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).