4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine

C12H24N2O — CID 166543278

IUPAC4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine
SMILESCOC1CN(CC2CCNC(C)(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)6-10(4-5-13-12)7-14-8-11(9-14)15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyVCOGFWOFIXDZOB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine

4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine (PubChem CID 166543278) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine
PubChem CID166543278
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine
SMILESCOC1CN(CC2CCNC(C)(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)6-10(4-5-13-12)7-14-8-11(9-14)15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyVCOGFWOFIXDZOB-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine
CID 130547518
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine
CID 117258195
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
CID 126793833
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
3,3-dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64944982
tert-butyl 3-[(3-methoxyazetidin-1-yl)methyl]azetidine-1-carboxylate
CID 166507590
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine?
The IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine (CID 166543278) is 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine.
What is the SMILES notation for 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine?
The canonical SMILES for 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine is COC1CN(CC2CCNC(C)(C)C2)C1.
What is the InChIKey of 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine?
The InChIKey is VCOGFWOFIXDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)6-10(4-5-13-12)7-14-8-11(9-14)15-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine?
4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine is sourced from PubChem (CID 166543278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).