1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol

C12H21NO3 — CID 79920646

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
SMILESOC1CN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C12H21NO3/c14-11-8-13(9-11)10-1-4-16-12(7-10)2-5-15-6-3-12/h10-11,14H,1-9H2
InChIKeyXSWRNSGZIXCNDH-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.39
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol (PubChem CID 79920646) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
PubChem CID79920646
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
SMILESOC1CN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C12H21NO3/c14-11-8-13(9-11)10-1-4-16-12(7-10)2-5-15-6-3-12/h10-11,14H,1-9H2
InChIKeyXSWRNSGZIXCNDH-UHFFFAOYSA-N
XLogP0.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
CID 70717623
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894208
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol (CID 79920646) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol is OC1CN(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol?
The InChIKey is XSWRNSGZIXCNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11-8-13(9-11)10-1-4-16-12(7-10)2-5-15-6-3-12/h10-11,14H,1-9H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol has a molecular weight of 227.30 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol is sourced from PubChem (CID 79920646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).