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

C15H25N3 — CID 116960987

IUPACN-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1C)C(C)N1CCNCC1
InChIInChI=1S/C15H25N3/c1-12-6-4-5-7-14(12)15(16-3)13(2)18-10-8-17-9-11-18/h4-7,13,15-17H,8-11H2,1-3H3
InChIKeyXJMGIKPBNNJOTR-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.55
Rot. Bonds4

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

N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine (PubChem CID 116960987) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
PubChem CID116960987
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1C)C(C)N1CCNCC1
InChIInChI=1S/C15H25N3/c1-12-6-4-5-7-14(12)15(16-3)13(2)18-10-8-17-9-11-18/h4-7,13,15-17H,8-11H2,1-3H3
InChIKeyXJMGIKPBNNJOTR-UHFFFAOYSA-N
XLogP1.55
TPSA27.30 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116960982
1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
CID 3900303
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine (CID 116960987) is N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine is CNC(c1ccccc1C)C(C)N1CCNCC1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
The InChIKey is XJMGIKPBNNJOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-4-5-7-14(12)15(16-3)13(2)18-10-8-17-9-11-18/h4-7,13,15-17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine?
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).