[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine

C15H25N3O — CID 63611034

IUPAC[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCN(C)C(C)C1
InChIInChI=1S/C15H25N3O/c1-12-10-18(7-6-17(12)2)11-14-8-13(9-16)4-5-15(14)19-3/h4-5,8,12H,6-7,9-11,16H2,1-3H3
InChIKeyWHJSXUYCEMEIIT-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.29
Rot. Bonds4

About [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine

[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine (PubChem CID 63611034) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
PubChem CID63611034
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCN(C)C(C)C1
InChIInChI=1S/C15H25N3O/c1-12-10-18(7-6-17(12)2)11-14-8-13(9-16)4-5-15(14)19-3/h4-5,8,12H,6-7,9-11,16H2,1-3H3
InChIKeyWHJSXUYCEMEIIT-UHFFFAOYSA-N
XLogP1.29
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine with MolForge

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Related Compounds

1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine (CID 63611034) is [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CN1CCN(C)C(C)C1.
What is the InChIKey of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The InChIKey is WHJSXUYCEMEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-10-18(7-6-17(12)2)11-14-8-13(9-16)4-5-15(14)19-3/h4-5,8,12H,6-7,9-11,16H2,1-3H3.
What are the key properties of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine?
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 63611034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).