2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine

C15H25N3 — CID 116946622

IUPAC2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
SMILESCc1ccccc1C(N)C(C)CN1CCNCC1
InChIInChI=1S/C15H25N3/c1-12-5-3-4-6-14(12)15(16)13(2)11-18-9-7-17-8-10-18/h3-6,13,15,17H,7-11,16H2,1-2H3
InChIKeyLORYOXJAIDSHOM-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine

2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116946622) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116946622
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
SMILESCc1ccccc1C(N)C(C)CN1CCNCC1
InChIInChI=1S/C15H25N3/c1-12-5-3-4-6-14(12)15(16)13(2)11-18-9-7-17-8-10-18/h3-6,13,15,17H,7-11,16H2,1-2H3
InChIKeyLORYOXJAIDSHOM-UHFFFAOYSA-N
XLogP1.54
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116946629
2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
CID 82263132
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-(2-fluorophenyl)-2-methyl-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 112679785
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine (CID 116946622) is 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine is Cc1ccccc1C(N)C(C)CN1CCNCC1.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is LORYOXJAIDSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-5-3-4-6-14(12)15(16)13(2)11-18-9-7-17-8-10-18/h3-6,13,15,17H,7-11,16H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine?
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).