[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine

C12H24N2O — CID 106823035

IUPAC[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
SMILESCOC1CC(N2CCC(C)C(CN)C2)C1
InChIInChI=1S/C12H24N2O/c1-9-3-4-14(8-10(9)7-13)11-5-12(6-11)15-2/h9-12H,3-8,13H2,1-2H3
InChIKeyOHWZJQTYKYLNIL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds3

About [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine

[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 106823035) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID106823035
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
SMILESCOC1CC(N2CCC(C)C(CN)C2)C1
InChIInChI=1S/C12H24N2O/c1-9-3-4-14(8-10(9)7-13)11-5-12(6-11)15-2/h9-12H,3-8,13H2,1-2H3
InChIKeyOHWZJQTYKYLNIL-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960162
(4R)-1-(3-methoxycyclobutyl)-4-methylpiperidin-3-ol
CID 171846915
[1-(1,2-dimethylpiperidin-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960031
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
CID 114960152
[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114959766
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
CID 114959788
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
[1-(3-methoxycyclobutyl)pyrrolidin-2-yl]methanamine
CID 106823007
[2-(3-methoxypyrrolidin-1-yl)cyclobutyl]methanamine
CID 103539662
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]cyclopentan-1-ol
CID 114961215
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine (CID 106823035) is [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine is COC1CC(N2CCC(C)C(CN)C2)C1.
What is the InChIKey of [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is OHWZJQTYKYLNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-3-4-14(8-10(9)7-13)11-5-12(6-11)15-2/h9-12H,3-8,13H2,1-2H3.
What are the key properties of [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine?
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 106823035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).