[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine

C15H25N3 — CID 177267332

IUPAC[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
SMILESCC(C)c1ccc(N2CCN(C)CC2)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12(2)13-4-5-15(14(10-13)11-16)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyZFDREMYRNFDXNF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.02
Rot. Bonds3

About [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine

[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine (PubChem CID 177267332) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
PubChem CID177267332
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
SMILESCC(C)c1ccc(N2CCN(C)CC2)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12(2)13-4-5-15(14(10-13)11-16)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyZFDREMYRNFDXNF-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.02
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)-5-propan-2-ylphenyl]methanamine?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine (CID 177267332) is [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine is CC(C)c1ccc(N2CCN(C)CC2)c(CN)c1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine?
The InChIKey is ZFDREMYRNFDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)13-4-5-15(14(10-13)11-16)18-8-6-17(3)7-9-18/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine?
[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine has a molecular weight of 247.39 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 [2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine is sourced from PubChem (CID 177267332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).