2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine

C14H23N3 — CID 16786190

IUPAC2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-12(17-10-8-16(2)9-11-17)14(15)13-6-4-3-5-7-13/h3-7,12,14H,8-11,15H2,1-2H3
InChIKeyDAUIOMAYSRHNCU-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.32
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine

2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine (PubChem CID 16786190) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
PubChem CID16786190
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-12(17-10-8-16(2)9-11-17)14(15)13-6-4-3-5-7-13/h3-7,12,14H,8-11,15H2,1-2H3
InChIKeyDAUIOMAYSRHNCU-UHFFFAOYSA-N
XLogP1.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine (CID 16786190) is 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine is CC(C(N)c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine?
The InChIKey is DAUIOMAYSRHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(17-10-8-16(2)9-11-17)14(15)13-6-4-3-5-7-13/h3-7,12,14H,8-11,15H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine?
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 16786190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).