1-(6-hydroxyhexyl)azetidin-3-ol

C9H19NO2 — CID 107706453

IUPAC1-(6-hydroxyhexyl)azetidin-3-ol
SMILESOCCCCCCN1CC(O)C1
InChIInChI=1S/C9H19NO2/c11-6-4-2-1-3-5-10-7-9(12)8-10/h9,11-12H,1-8H2
InChIKeyOMNKMCRCBUAPMF-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.22
Rot. Bonds6

About 1-(6-hydroxyhexyl)azetidin-3-ol

1-(6-hydroxyhexyl)azetidin-3-ol (PubChem CID 107706453) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)azetidin-3-ol
PubChem CID107706453
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(6-hydroxyhexyl)azetidin-3-ol
SMILESOCCCCCCN1CC(O)C1
InChIInChI=1S/C9H19NO2/c11-6-4-2-1-3-5-10-7-9(12)8-10/h9,11-12H,1-8H2
InChIKeyOMNKMCRCBUAPMF-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 103738015
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
1-(4-methoxybutyl)azetidin-3-ol
CID 115773115
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 63221969
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
1-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115518090
1-[3-(dimethylamino)propyl]azetidin-3-ol
CID 115773117

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyhexyl)azetidin-3-ol?
The IUPAC name of 1-(6-hydroxyhexyl)azetidin-3-ol (CID 107706453) is 1-(6-hydroxyhexyl)azetidin-3-ol.
What is the SMILES notation for 1-(6-hydroxyhexyl)azetidin-3-ol?
The canonical SMILES for 1-(6-hydroxyhexyl)azetidin-3-ol is OCCCCCCN1CC(O)C1.
What is the InChIKey of 1-(6-hydroxyhexyl)azetidin-3-ol?
The InChIKey is OMNKMCRCBUAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-6-4-2-1-3-5-10-7-9(12)8-10/h9,11-12H,1-8H2.
What are the key properties of 1-(6-hydroxyhexyl)azetidin-3-ol?
1-(6-hydroxyhexyl)azetidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)azetidin-3-ol is sourced from PubChem (CID 107706453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).