5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol

C15H24N2O2 — CID 103440564

IUPAC5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC(C)CC2CN)cc1O
InChIInChI=1S/C15H24N2O2/c1-11-5-6-17(13(7-11)9-16)10-12-3-4-15(19-2)14(18)8-12/h3-4,8,11,13,18H,5-7,9-10,16H2,1-2H3
InChIKeyFEQXRAXWEYYJOB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds4

About 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol

5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol (PubChem CID 103440564) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
PubChem CID103440564
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC(C)CC2CN)cc1O
InChIInChI=1S/C15H24N2O2/c1-11-5-6-17(13(7-11)9-16)10-12-3-4-15(19-2)14(18)8-12/h3-4,8,11,13,18H,5-7,9-10,16H2,1-2H3
InChIKeyFEQXRAXWEYYJOB-UHFFFAOYSA-N
XLogP1.96
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol (CID 103440564) is 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCC(C)CC2CN)cc1O.
What is the InChIKey of 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is FEQXRAXWEYYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-6-17(13(7-11)9-16)10-12-3-4-15(19-2)14(18)8-12/h3-4,8,11,13,18H,5-7,9-10,16H2,1-2H3.
What are the key properties of 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol?
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 103440564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).