2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine

C16H27N3 — CID 24699122

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine
SMILESCN1CCN(C(C)(CN)CCc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-16(14-17,19-12-10-18(2)11-13-19)9-8-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyJEZHCAMUAOSNHV-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.58
Rot. Bonds5

About 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine (PubChem CID 24699122) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine
PubChem CID24699122
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine
SMILESCN1CCN(C(C)(CN)CCc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-16(14-17,19-12-10-18(2)11-13-19)9-8-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyJEZHCAMUAOSNHV-UHFFFAOYSA-N
XLogP1.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine (CID 24699122) is 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine is CN1CCN(C(C)(CN)CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine?
The InChIKey is JEZHCAMUAOSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(14-17,19-12-10-18(2)11-13-19)9-8-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 24699122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).