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

C9H19NO2 — CID 130503163

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESCC(CO)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H19NO2/c1-7(6-11)10-4-8(2)12-9(3)5-10/h7-9,11H,4-6H2,1-3H3/t7?,8-,9+
InChIKeyNEIWJLPHCXCFIN-CBLAIPOGSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds2

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol (PubChem CID 130503163) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
PubChem CID130503163
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESCC(CO)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H19NO2/c1-7(6-11)10-4-8(2)12-9(3)5-10/h7-9,11H,4-6H2,1-3H3/t7?,8-,9+
InChIKeyNEIWJLPHCXCFIN-CBLAIPOGSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol (CID 130503163) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol is CC(CO)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The InChIKey is NEIWJLPHCXCFIN-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(6-11)10-4-8(2)12-9(3)5-10/h7-9,11H,4-6H2,1-3H3/t7?,8-,9+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol is sourced from PubChem (CID 130503163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).