1-(4-methoxybutyl)azetidin-3-ol

C8H17NO2 — CID 115773115

IUPAC1-(4-methoxybutyl)azetidin-3-ol
SMILESCOCCCCN1CC(O)C1
InChIInChI=1S/C8H17NO2/c1-11-5-3-2-4-9-6-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyGIYIWJQMZJRIOG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds5

About 1-(4-methoxybutyl)azetidin-3-ol

1-(4-methoxybutyl)azetidin-3-ol (PubChem CID 115773115) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(4-methoxybutyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-methoxybutyl)azetidin-3-ol
PubChem CID115773115
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(4-methoxybutyl)azetidin-3-ol
SMILESCOCCCCN1CC(O)C1
InChIInChI=1S/C8H17NO2/c1-11-5-3-2-4-9-6-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyGIYIWJQMZJRIOG-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
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

1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane
CID 114130039
1-(6-hydroxyhexyl)azetidin-3-ol
CID 107706453
(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
CID 146332106
1-[3-(dimethylamino)propyl]azetidin-3-ol
CID 115773117
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)azetidin-3-ol?
The IUPAC name of 1-(4-methoxybutyl)azetidin-3-ol (CID 115773115) is 1-(4-methoxybutyl)azetidin-3-ol.
What is the SMILES notation for 1-(4-methoxybutyl)azetidin-3-ol?
The canonical SMILES for 1-(4-methoxybutyl)azetidin-3-ol is COCCCCN1CC(O)C1.
What is the InChIKey of 1-(4-methoxybutyl)azetidin-3-ol?
The InChIKey is GIYIWJQMZJRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-11-5-3-2-4-9-6-8(10)7-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-(4-methoxybutyl)azetidin-3-ol?
1-(4-methoxybutyl)azetidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)azetidin-3-ol is sourced from PubChem (CID 115773115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).