2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine

C17H24N4 — CID 64876301

IUPAC2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
SMILESCc1nccn1CCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H24N4/c1-14-12-19-17(16-6-4-3-5-7-16)13-21(14)11-10-20-9-8-18-15(20)2/h3-9,14,17,19H,10-13H2,1-2H3
InChIKeyLWVUIKVDXCUNKJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine

2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine (PubChem CID 64876301) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
PubChem CID64876301
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
SMILESCc1nccn1CCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H24N4/c1-14-12-19-17(16-6-4-3-5-7-16)13-21(14)11-10-20-9-8-18-15(20)2/h3-9,14,17,19H,10-13H2,1-2H3
InChIKeyLWVUIKVDXCUNKJ-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine?
The IUPAC name of 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine (CID 64876301) is 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine?
The canonical SMILES for 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine is Cc1nccn1CCN1CC(c2ccccc2)NCC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine?
The InChIKey is LWVUIKVDXCUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-12-19-17(16-6-4-3-5-7-16)13-21(14)11-10-20-9-8-18-15(20)2/h3-9,14,17,19H,10-13H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine?
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine is sourced from PubChem (CID 64876301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).