1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine

C16H27N3 — CID 63603789

IUPAC1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-12-5-7-15(8-6-12)16(14(3)17)19-10-9-18(4)13(2)11-19/h5-8,13-14,16H,9-11,17H2,1-4H3
InChIKeyXTRKMJRHMJMQLE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.02
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine

1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine (PubChem CID 63603789) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
PubChem CID63603789
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-12-5-7-15(8-6-12)16(14(3)17)19-10-9-18(4)13(2)11-19/h5-8,13-14,16H,9-11,17H2,1-4H3
InChIKeyXTRKMJRHMJMQLE-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 63603967
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537143
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 62774582
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 55016115

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine (CID 63603789) is 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine is Cc1ccc(C(C(C)N)N2CCN(C)C(C)C2)cc1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is XTRKMJRHMJMQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-7-15(8-6-12)16(14(3)17)19-10-9-18(4)13(2)11-19/h5-8,13-14,16H,9-11,17H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 63603789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).