[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine

C15H24N2O — CID 65341079

IUPAC[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CCC(C)CC2)cc1CN
InChIInChI=1S/C15H24N2O/c1-12-5-7-17(8-6-12)11-13-3-4-15(18-2)14(9-13)10-16/h3-4,9,12H,5-8,10-11,16H2,1-2H3
InChIKeyWCZGIVJLQJGOMF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds4

About [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine

[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 65341079) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID65341079
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CCC(C)CC2)cc1CN
InChIInChI=1S/C15H24N2O/c1-12-5-7-17(8-6-12)11-13-3-4-15(18-2)14(9-13)10-16/h3-4,9,12H,5-8,10-11,16H2,1-2H3
InChIKeyWCZGIVJLQJGOMF-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine (CID 65341079) is [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine is COc1ccc(CN2CCC(C)CC2)cc1CN.
What is the InChIKey of [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is WCZGIVJLQJGOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-7-17(8-6-12)11-13-3-4-15(18-2)14(9-13)10-16/h3-4,9,12H,5-8,10-11,16H2,1-2H3.
What are the key properties of [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 65341079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).