[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine

C15H30N2O — CID 102956549

IUPAC[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
SMILESCOC1CN(C2CC(C)CCC2CN)CCC1C
InChIInChI=1S/C15H30N2O/c1-11-4-5-13(9-16)14(8-11)17-7-6-12(2)15(10-17)18-3/h11-15H,4-10,16H2,1-3H3
InChIKeyPMNBSHKAZPOMPM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.11
Rot. Bonds3

About [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine

[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine (PubChem CID 102956549) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
PubChem CID102956549
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
SMILESCOC1CN(C2CC(C)CCC2CN)CCC1C
InChIInChI=1S/C15H30N2O/c1-11-4-5-13(9-16)14(8-11)17-7-6-12(2)15(10-17)18-3/h11-15H,4-10,16H2,1-3H3
InChIKeyPMNBSHKAZPOMPM-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114959766
1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol
CID 112624686
[2-(3-methoxypyrrolidin-1-yl)cyclobutyl]methanamine
CID 103539662
[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 62968920
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
CID 102965731
[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
CID 103531219
7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091243
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine
CID 102965792

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine (CID 102956549) is [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine is COC1CN(C2CC(C)CCC2CN)CCC1C.
What is the InChIKey of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is PMNBSHKAZPOMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-4-5-13(9-16)14(8-11)17-7-6-12(2)15(10-17)18-3/h11-15H,4-10,16H2,1-3H3.
What are the key properties of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine?
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 102956549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).