2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine

C17H25N5 — CID 84744028

IUPAC2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(CN)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H25N5/c1-20-13-16(19-14-20)17(11-18)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12,18H2,1H3
InChIKeyOHVFJDADGVPSKE-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.24
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine

2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine (PubChem CID 84744028) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine
PubChem CID84744028
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(CN)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H25N5/c1-20-13-16(19-14-20)17(11-18)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12,18H2,1H3
InChIKeyOHVFJDADGVPSKE-UHFFFAOYSA-N
XLogP1.24
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine (CID 84744028) is 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine is Cn1cnc(C(CN)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is OHVFJDADGVPSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-20-13-16(19-14-20)17(11-18)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12,18H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine?
2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 299.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-2-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 84744028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).