[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine

C13H26N2O — CID 106822186

IUPAC[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CC(C)CCC2C)C1
InChIInChI=1S/C13H26N2O/c1-10-4-5-11(2)15(8-10)13(9-14)6-12(7-13)16-3/h10-12H,4-9,14H2,1-3H3
InChIKeyJEGRINJJUKMRSJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine

[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine (PubChem CID 106822186) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
PubChem CID106822186
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CC(C)CCC2C)C1
InChIInChI=1S/C13H26N2O/c1-10-4-5-11(2)15(8-10)13(9-14)6-12(7-13)16-3/h10-12H,4-9,14H2,1-3H3
InChIKeyJEGRINJJUKMRSJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine
CID 113414484
[1-(2,5-dimethylmorpholin-4-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753038
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[3,5-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941063
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141887
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine?
The IUPAC name of [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine (CID 106822186) is [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine?
The canonical SMILES for [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine is COC1CC(CN)(N2CC(C)CCC2C)C1.
What is the InChIKey of [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine?
The InChIKey is JEGRINJJUKMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-4-5-11(2)15(8-10)13(9-14)6-12(7-13)16-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine?
[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine is sourced from PubChem (CID 106822186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).