3-(3,3-dimethoxyazetidin-1-yl)piperidine

C10H20N2O2 — CID 79678037

IUPAC3-(3,3-dimethoxyazetidin-1-yl)piperidine
SMILESCOC1(OC)CN(C2CCCNC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)9-4-3-5-11-6-9/h9,11H,3-8H2,1-2H3
InChIKeyFAUAKOYFPGFKJX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds3

About 3-(3,3-dimethoxyazetidin-1-yl)piperidine

3-(3,3-dimethoxyazetidin-1-yl)piperidine (PubChem CID 79678037) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(3,3-dimethoxyazetidin-1-yl)piperidine.

Molecular Properties

Compound Name3-(3,3-dimethoxyazetidin-1-yl)piperidine
PubChem CID79678037
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(3,3-dimethoxyazetidin-1-yl)piperidine
SMILESCOC1(OC)CN(C2CCCNC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)9-4-3-5-11-6-9/h9,11H,3-8H2,1-2H3
InChIKeyFAUAKOYFPGFKJX-UHFFFAOYSA-N
XLogP0.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
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

2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane
CID 167619773
3-(3,3-dimethoxyazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695707
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
CID 130915029
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)piperidine?
The IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)piperidine (CID 79678037) is 3-(3,3-dimethoxyazetidin-1-yl)piperidine.
What is the SMILES notation for 3-(3,3-dimethoxyazetidin-1-yl)piperidine?
The canonical SMILES for 3-(3,3-dimethoxyazetidin-1-yl)piperidine is COC1(OC)CN(C2CCCNC2)C1.
What is the InChIKey of 3-(3,3-dimethoxyazetidin-1-yl)piperidine?
The InChIKey is FAUAKOYFPGFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)9-4-3-5-11-6-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(3,3-dimethoxyazetidin-1-yl)piperidine?
3-(3,3-dimethoxyazetidin-1-yl)piperidine has a molecular weight of 200.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethoxyazetidin-1-yl)piperidine is sourced from PubChem (CID 79678037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).