1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine

C15H25N3O — CID 116946739

IUPAC1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(C)cc1C(N)C(C)N1CCNCC1
InChIInChI=1S/C15H25N3O/c1-11-4-5-14(19-3)13(10-11)15(16)12(2)18-8-6-17-7-9-18/h4-5,10,12,15,17H,6-9,16H2,1-3H3
InChIKeyMLJSGWSNGRYZTR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine

1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946739) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
PubChem CID116946739
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(C)cc1C(N)C(C)N1CCNCC1
InChIInChI=1S/C15H25N3O/c1-11-4-5-14(19-3)13(10-11)15(16)12(2)18-8-6-17-7-9-18/h4-5,10,12,15,17H,6-9,16H2,1-3H3
InChIKeyMLJSGWSNGRYZTR-UHFFFAOYSA-N
XLogP1.30
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine (CID 116946739) is 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine is COc1ccc(C)cc1C(N)C(C)N1CCNCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The InChIKey is MLJSGWSNGRYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-4-5-14(19-3)13(10-11)15(16)12(2)18-8-6-17-7-9-18/h4-5,10,12,15,17H,6-9,16H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).