[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

C16H27N3O — CID 63610193

IUPAC[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-16(2)12-19(8-7-18(16)3)11-14-9-13(10-17)5-6-15(14)20-4/h5-6,9H,7-8,10-12,17H2,1-4H3
InChIKeyGAPFXKRQDMRNFF-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.68
Rot. Bonds4

About [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 63610193) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID63610193
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-16(2)12-19(8-7-18(16)3)11-14-9-13(10-17)5-6-15(14)20-4/h5-6,9H,7-8,10-12,17H2,1-4H3
InChIKeyGAPFXKRQDMRNFF-UHFFFAOYSA-N
XLogP1.68
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
2-methoxy-5-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 65343846
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964690
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
5-methoxy-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 115414146
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (CID 63610193) is [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is COc1ccc(CN)cc1CN1CCN(C)C(C)(C)C1.
What is the InChIKey of [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is GAPFXKRQDMRNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2)12-19(8-7-18(16)3)11-14-9-13(10-17)5-6-15(14)20-4/h5-6,9H,7-8,10-12,17H2,1-4H3.
What are the key properties of [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 63610193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).