(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine

C14H23N3O2 — CID 116941249

IUPAC(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CNCCN2C)c1
InChIInChI=1S/C14H23N3O2/c1-17-7-6-16-9-12(17)14(15)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3
InChIKeyOGXKZRYQAIPJSA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.61
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine

(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941249) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941249
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CNCCN2C)c1
InChIInChI=1S/C14H23N3O2/c1-17-7-6-16-9-12(17)14(15)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3
InChIKeyOGXKZRYQAIPJSA-UHFFFAOYSA-N
XLogP0.61
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941308
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116910975
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
5-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212747

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine (CID 116941249) is (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine is COc1ccc(OC)c(C(N)C2CNCCN2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is OGXKZRYQAIPJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-7-6-16-9-12(17)14(15)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).