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

C17H24N4 — CID 114532383

IUPAC2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCc1nccn1C
InChIInChI=1S/C17H24N4/c1-14-12-19-16(15-6-4-3-5-7-15)13-21(14)10-8-17-18-9-11-20(17)2/h3-7,9,11,14,16,19H,8,10,12-13H2,1-2H3
InChIKeyNMBFMLPIOIDDPG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.00
Rot. Bonds4

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

2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine (PubChem CID 114532383) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine
PubChem CID114532383
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCc1nccn1C
InChIInChI=1S/C17H24N4/c1-14-12-19-16(15-6-4-3-5-7-15)13-21(14)10-8-17-18-9-11-20(17)2/h3-7,9,11,14,16,19H,8,10,12-13H2,1-2H3
InChIKeyNMBFMLPIOIDDPG-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
CID 64876301
1-[2-(1-methylimidazol-2-yl)ethyl]-3-phenyl-1,4-diazepane
CID 114532416
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
CID 106044003
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
7-methyl-3-phenyl-1-propyl-1,4-diazepane
CID 64870768
9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 114532434
7-methyl-1-(3-methylsulfonylpropyl)-3-phenyl-1,4-diazepane
CID 64869984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine?
The IUPAC name of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine (CID 114532383) is 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine?
The canonical SMILES for 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1CCc1nccn1C.
What is the InChIKey of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine?
The InChIKey is NMBFMLPIOIDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-12-19-16(15-6-4-3-5-7-15)13-21(14)10-8-17-18-9-11-20(17)2/h3-7,9,11,14,16,19H,8,10,12-13H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine?
2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.00, 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-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine is sourced from PubChem (CID 114532383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).