3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol

C9H19NO2 — CID 53216058

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESC[C@@H]1CN(CCCO)C[C@H](C)O1
InChIInChI=1S/C9H19NO2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyQPWCCVFFSASLDL-DTORHVGOSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds3

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol (PubChem CID 53216058) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
PubChem CID53216058
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESC[C@@H]1CN(CCCO)C[C@H](C)O1
InChIInChI=1S/C9H19NO2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyQPWCCVFFSASLDL-DTORHVGOSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol (CID 53216058) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol is C[C@@H]1CN(CCCO)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The InChIKey is QPWCCVFFSASLDL-DTORHVGOSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-6-10(4-3-5-11)7-9(2)12-8/h8-9,11H,3-7H2,1-2H3/t8-,9+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol is sourced from PubChem (CID 53216058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).