[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine

C14H23N3O — CID 84754851

IUPAC[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(CN2CCN(C)CC2)ccc1CN
InChIInChI=1S/C14H23N3O/c1-16-5-7-17(8-6-16)11-12-3-4-13(10-15)14(9-12)18-2/h3-4,9H,5-8,10-11,15H2,1-2H3
InChIKeyABHCGXOQOFYZRY-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.90
Rot. Bonds4

About [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine

[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 84754851) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID84754851
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(CN2CCN(C)CC2)ccc1CN
InChIInChI=1S/C14H23N3O/c1-16-5-7-17(8-6-16)11-12-3-4-13(10-15)14(9-12)18-2/h3-4,9H,5-8,10-11,15H2,1-2H3
InChIKeyABHCGXOQOFYZRY-UHFFFAOYSA-N
XLogP0.90
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 84746066
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine (CID 84754851) is [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine is COc1cc(CN2CCN(C)CC2)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is ABHCGXOQOFYZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-5-7-17(8-6-16)11-12-3-4-13(10-15)14(9-12)18-2/h3-4,9H,5-8,10-11,15H2,1-2H3.
What are the key properties of [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine?
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 84754851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).