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

C15H24N2O — CID 103440726

IUPAC2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN2CCC(C)CC2CN)c1
InChIInChI=1S/C15H24N2O/c1-11-3-4-15(18)13(7-11)10-17-6-5-12(2)8-14(17)9-16/h3-4,7,12,14,18H,5-6,8-10,16H2,1-2H3
InChIKeyOKGHWTSQCSTCGK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds3

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

2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol (PubChem CID 103440726) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
PubChem CID103440726
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN2CCC(C)CC2CN)c1
InChIInChI=1S/C15H24N2O/c1-11-3-4-15(18)13(7-11)10-17-6-5-12(2)8-14(17)9-16/h3-4,7,12,14,18H,5-6,8-10,16H2,1-2H3
InChIKeyOKGHWTSQCSTCGK-UHFFFAOYSA-N
XLogP2.26
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 103442139
4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 63325311
[1-[(5-fluoro-2-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442070
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441656

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol?
The IUPAC name of 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol (CID 103440726) is 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol?
The canonical SMILES for 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol is Cc1ccc(O)c(CN2CCC(C)CC2CN)c1.
What is the InChIKey of 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol?
The InChIKey is OKGHWTSQCSTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-3-4-15(18)13(7-11)10-17-6-5-12(2)8-14(17)9-16/h3-4,7,12,14,18H,5-6,8-10,16H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol?
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol is sourced from PubChem (CID 103440726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).