1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine

C16H26N4 — CID 71047430

IUPAC1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine
SMILESCC1=C(N2CCN(CC3=C(C)NCN3)CC2)C=CCC1
InChIInChI=1S/C16H26N4/c1-13-5-3-4-6-16(13)20-9-7-19(8-10-20)11-15-14(2)17-12-18-15/h4,6,17-18H,3,5,7-12H2,1-2H3
InChIKeyNWQQCXLMBMOLAH-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.61
Rot. Bonds3

About 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine

1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine (PubChem CID 71047430) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine
PubChem CID71047430
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine
SMILESCC1=C(N2CCN(CC3=C(C)NCN3)CC2)C=CCC1
InChIInChI=1S/C16H26N4/c1-13-5-3-4-6-16(13)20-9-7-19(8-10-20)11-15-14(2)17-12-18-15/h4,6,17-18H,3,5,7-12H2,1-2H3
InChIKeyNWQQCXLMBMOLAH-UHFFFAOYSA-N
XLogP1.61
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine (CID 71047430) is 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine is CC1=C(N2CCN(CC3=C(C)NCN3)CC2)C=CCC1.
What is the InChIKey of 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine?
The InChIKey is NWQQCXLMBMOLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-5-3-4-6-16(13)20-9-7-19(8-10-20)11-15-14(2)17-12-18-15/h4,6,17-18H,3,5,7-12H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine?
1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexa-1,5-dien-1-yl)-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 71047430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).