[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine

C12H24N2O — CID 106821667

IUPAC[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCCCC2C)C1
InChIInChI=1S/C12H24N2O/c1-10-5-3-4-6-14(10)12(9-13)7-11(8-12)15-2/h10-11H,3-9,13H2,1-2H3
InChIKeySQQCECPFUWFGRB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds3

About [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine

[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine (PubChem CID 106821667) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
PubChem CID106821667
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCCCC2C)C1
InChIInChI=1S/C12H24N2O/c1-10-5-3-4-6-14(10)12(9-13)7-11(8-12)15-2/h10-11H,3-9,13H2,1-2H3
InChIKeySQQCECPFUWFGRB-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106822186
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
[3,4-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64746034
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 81320897
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine (CID 106821667) is [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine is COC1CC(CN)(N2CCCCC2C)C1.
What is the InChIKey of [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine?
The InChIKey is SQQCECPFUWFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-5-3-4-6-14(10)12(9-13)7-11(8-12)15-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine?
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 106821667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).