1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol

C12H23NO3 — CID 104549899

IUPAC1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESCOC1(OC)CN(CC2(O)CCCCC2)C1
InChIInChI=1S/C12H23NO3/c1-15-12(16-2)9-13(10-12)8-11(14)6-4-3-5-7-11/h14H,3-10H2,1-2H3
InChIKeyJLBNNDSTLWCHPX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.99
Rot. Bonds4

About 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol

1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 104549899) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID104549899
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESCOC1(OC)CN(CC2(O)CCCCC2)C1
InChIInChI=1S/C12H23NO3/c1-15-12(16-2)9-13(10-12)8-11(14)6-4-3-5-7-11/h14H,3-10H2,1-2H3
InChIKeyJLBNNDSTLWCHPX-UHFFFAOYSA-N
XLogP0.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine
CID 103354274
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
CID 118534899
1-[(3-ethoxyazetidin-1-yl)methyl]cyclopentan-1-ol
CID 126846884
1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 63632763
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623
1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
CID 129149585
1-[[3-(dimethylamino)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63950406
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol (CID 104549899) is 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol is COC1(OC)CN(CC2(O)CCCCC2)C1.
What is the InChIKey of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is JLBNNDSTLWCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-12(16-2)9-13(10-12)8-11(14)6-4-3-5-7-11/h14H,3-10H2,1-2H3.
What are the key properties of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol?
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104549899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).