[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine

C15H25N3O — CID 80504267

IUPAC[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCOc1ccccc1C(C)N1CCN(C)CC1CN
InChIInChI=1S/C15H25N3O/c1-12(14-6-4-5-7-15(14)19-3)18-9-8-17(2)11-13(18)10-16/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyFDBRGFKJKUQACJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.33
Rot. Bonds4

About [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80504267) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80504267
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCOc1ccccc1C(C)N1CCN(C)CC1CN
InChIInChI=1S/C15H25N3O/c1-12(14-6-4-5-7-15(14)19-3)18-9-8-17(2)11-13(18)10-16/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyFDBRGFKJKUQACJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
CID 80504272
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505440
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine (CID 80504267) is [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine is COc1ccccc1C(C)N1CCN(C)CC1CN.
What is the InChIKey of [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is FDBRGFKJKUQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(14-6-4-5-7-15(14)19-3)18-9-8-17(2)11-13(18)10-16/h4-7,12-13H,8-11,16H2,1-3H3.
What are the key properties of [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80504267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).