3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine

C15H25N3O — CID 103225336

IUPAC3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
SMILESCOCC(CN)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13-4-3-5-14(10-13)17-6-8-18(9-7-17)15(11-16)12-19-2/h3-5,10,15H,6-9,11-12,16H2,1-2H3
InChIKeyHHSKDEVTJYTQMZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.09
Rot. Bonds5

About 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine

3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 103225336) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
PubChem CID103225336
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
SMILESCOCC(CN)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H25N3O/c1-13-4-3-5-14(10-13)17-6-8-18(9-7-17)15(11-16)12-19-2/h3-5,10,15H,6-9,11-12,16H2,1-2H3
InChIKeyHHSKDEVTJYTQMZ-UHFFFAOYSA-N
XLogP1.09
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 103225441
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457
3-[4-(3-methylphenyl)piperazin-1-yl]pentanethioamide
CID 43367697
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
CID 103225282

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine (CID 103225336) is 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine is COCC(CN)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is HHSKDEVTJYTQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-4-3-5-14(10-13)17-6-8-18(9-7-17)15(11-16)12-19-2/h3-5,10,15H,6-9,11-12,16H2,1-2H3.
What are the key properties of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 103225336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).