[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine

C16H26N2O2 — CID 115963149

IUPAC[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCOc1ccc(CN2CCC(OC)CC2CN)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-8-13(4-5-16(12)20-3)11-18-7-6-15(19-2)9-14(18)10-17/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3
InChIKeyIKEKZXXACUZWEY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds5

About [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 115963149) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
PubChem CID115963149
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCOc1ccc(CN2CCC(OC)CC2CN)cc1C
InChIInChI=1S/C16H26N2O2/c1-12-8-13(4-5-16(12)20-3)11-18-7-6-15(19-2)9-14(18)10-17/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3
InChIKeyIKEKZXXACUZWEY-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
CID 123223868
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine (CID 115963149) is [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine is COc1ccc(CN2CCC(OC)CC2CN)cc1C.
What is the InChIKey of [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is IKEKZXXACUZWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-8-13(4-5-16(12)20-3)11-18-7-6-15(19-2)9-14(18)10-17/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3.
What are the key properties of [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).