[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine

C15H24N2O — CID 134085949

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
SMILESCOc1cccc(N2CC(C)CC(C)C2)c1CN
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)10-17(9-11)14-5-4-6-15(18-3)13(14)8-16/h4-6,11-12H,7-10,16H2,1-3H3
InChIKeyAXTRRYDTIQMVGI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.64
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine

[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine (PubChem CID 134085949) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
PubChem CID134085949
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
SMILESCOc1cccc(N2CC(C)CC(C)C2)c1CN
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)10-17(9-11)14-5-4-6-15(18-3)13(14)8-16/h4-6,11-12H,7-10,16H2,1-3H3
InChIKeyAXTRRYDTIQMVGI-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
[2-(2-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156701
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 84672375
[2-(3-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156697
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515940
(2-cyclobutyloxy-6-piperidin-1-ylphenyl)methanamine
CID 118156691
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine (CID 134085949) is [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine is COc1cccc(N2CC(C)CC(C)C2)c1CN.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine?
The InChIKey is AXTRRYDTIQMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)10-17(9-11)14-5-4-6-15(18-3)13(14)8-16/h4-6,11-12H,7-10,16H2,1-3H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine?
[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine is sourced from PubChem (CID 134085949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).