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

C17H29N3 — CID 63603967

IUPAC1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-5-16(18)17(15-8-6-13(2)7-9-15)20-11-10-19(4)14(3)12-20/h6-9,14,16-17H,5,10-12,18H2,1-4H3
InChIKeyHWGPSBKUTQEYQX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.41
Rot. Bonds4

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

1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine (PubChem CID 63603967) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
PubChem CID63603967
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-5-16(18)17(15-8-6-13(2)7-9-15)20-11-10-19(4)14(3)12-20/h6-9,14,16-17H,5,10-12,18H2,1-4H3
InChIKeyHWGPSBKUTQEYQX-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine (CID 63603967) is 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(c1ccc(C)cc1)N1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is HWGPSBKUTQEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-16(18)17(15-8-6-13(2)7-9-15)20-11-10-19(4)14(3)12-20/h6-9,14,16-17H,5,10-12,18H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.41, 4 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)butan-2-amine is sourced from PubChem (CID 63603967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).