1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine

C11H22N2O — CID 130485895

IUPAC1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
SMILESCOC1CCN(CC2CNC2)C(C)C1
InChIInChI=1S/C11H22N2O/c1-9-5-11(14-2)3-4-13(9)8-10-6-12-7-10/h9-12H,3-8H2,1-2H3
InChIKeyGQVHSBPNNYRGFA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine

1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine (PubChem CID 130485895) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
PubChem CID130485895
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
SMILESCOC1CCN(CC2CNC2)C(C)C1
InChIInChI=1S/C11H22N2O/c1-9-5-11(14-2)3-4-13(9)8-10-6-12-7-10/h9-12H,3-8H2,1-2H3
InChIKeyGQVHSBPNNYRGFA-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
CID 118569724
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
CID 114221239
(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
CID 156519067
[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
CID 114221232
[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
CID 165449050
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methoxy-2-methylpiperidine
CID 114221477
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
CID 114229025
2-(cyclopropylamino)-3-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 114221626
1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cycloheptane-1-carbaldehyde
CID 114221540
(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine
CID 175636416
2-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
CID 165136775
(5-methoxypiperidin-3-yl)methanol
CID 166104648

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine (CID 130485895) is 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine is COC1CCN(CC2CNC2)C(C)C1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine?
The InChIKey is GQVHSBPNNYRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-5-11(14-2)3-4-13(9)8-10-6-12-7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine?
1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine is sourced from PubChem (CID 130485895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).