4-(3-methylmorpholin-4-yl)butan-1-ol

C9H19NO2 — CID 43542485

IUPAC4-(3-methylmorpholin-4-yl)butan-1-ol
SMILESCC1COCCN1CCCCO
InChIInChI=1S/C9H19NO2/c1-9-8-12-7-5-10(9)4-2-3-6-11/h9,11H,2-8H2,1H3
InChIKeyPVVSYILMAAVGFR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds4

About 4-(3-methylmorpholin-4-yl)butan-1-ol

4-(3-methylmorpholin-4-yl)butan-1-ol (PubChem CID 43542485) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)butan-1-ol
PubChem CID43542485
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(3-methylmorpholin-4-yl)butan-1-ol
SMILESCC1COCCN1CCCCO
InChIInChI=1S/C9H19NO2/c1-9-8-12-7-5-10(9)4-2-3-6-11/h9,11H,2-8H2,1H3
InChIKeyPVVSYILMAAVGFR-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
dimethoxy-[3-(3-methylmorpholin-4-yl)propyl]silane
CID 154510661
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
2-amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64796610
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
N-tert-butyl-5-(3-methylmorpholin-4-yl)pentan-1-amine
CID 55074463
1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
CID 64821780
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)butan-1-ol?
The IUPAC name of 4-(3-methylmorpholin-4-yl)butan-1-ol (CID 43542485) is 4-(3-methylmorpholin-4-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)butan-1-ol?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)butan-1-ol is CC1COCCN1CCCCO.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)butan-1-ol?
The InChIKey is PVVSYILMAAVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9-8-12-7-5-10(9)4-2-3-6-11/h9,11H,2-8H2,1H3.
What are the key properties of 4-(3-methylmorpholin-4-yl)butan-1-ol?
4-(3-methylmorpholin-4-yl)butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)butan-1-ol is sourced from PubChem (CID 43542485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).