1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol

C11H23NO5 — CID 106992250

IUPAC1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCOCC1CO
InChIInChI=1S/C11H23NO5/c1-15-4-5-17-9-11(14)6-12-2-3-16-8-10(12)7-13/h10-11,13-14H,2-9H2,1H3
InChIKeyPGDGKZUVQIWAMY-UHFFFAOYSA-N
MW249.31 g/mol
LogP-1.30
Rot. Bonds8

About 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol

1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992250) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992250
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCOCC1CO
InChIInChI=1S/C11H23NO5/c1-15-4-5-17-9-11(14)6-12-2-3-16-8-10(12)7-13/h10-11,13-14H,2-9H2,1H3
InChIKeyPGDGKZUVQIWAMY-UHFFFAOYSA-N
XLogP-1.30
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
methyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]morpholine-3-carboxylate
CID 106992909
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
1-(3-ethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101741
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 106992286
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol (CID 106992250) is 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCOCC1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is PGDGKZUVQIWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-15-4-5-17-9-11(14)6-12-2-3-16-8-10(12)7-13/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol?
1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 249.31 g/mol, XLogP of -1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).