1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine

C32H44N4 — CID 134513637

IUPAC1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine
SMILESC=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)ccc1C)N1CCN(C2=CCCC=C2C)CC1
InChIInChI=1S/C32H44N4/c1-25-13-14-29(24-33-15-17-35(18-16-33)31-11-7-5-9-26(31)2)23-30(25)28(4)34-19-21-36(22-20-34)32-12-8-6-10-27(32)3/h9-14,23H,4-8,15-22,24H2,1-3H3
InChIKeyBFBMVHLMTOKEDX-UHFFFAOYSA-N
MW484.73 g/mol
LogP5.95
Rot. Bonds6

About 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine

1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine (PubChem CID 134513637) has the molecular formula C32H44N4 and a molecular weight of 484.73 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine
PubChem CID134513637
Molecular FormulaC32H44N4
Molecular Weight484.73 g/mol
Exact Mass484.36
IUPAC Name1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine
SMILESC=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)ccc1C)N1CCN(C2=CCCC=C2C)CC1
InChIInChI=1S/C32H44N4/c1-25-13-14-29(24-33-15-17-35(18-16-33)31-11-7-5-9-26(31)2)23-30(25)28(4)34-19-21-36(22-20-34)32-12-8-6-10-27(32)3/h9-14,23H,4-8,15-22,24H2,1-3H3
InChIKeyBFBMVHLMTOKEDX-UHFFFAOYSA-N
XLogP5.95
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine with MolForge

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Related Compounds

N-ethyl-1-[4-[[3-[1-[4-[(E)-hex-3-en-3-yl]piperazin-1-yl]ethenyl]-4-methylphenyl]methyl]piperazin-1-yl]ethanimine
CID 134513994
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
[5-[[4-(N-ethenyl-C-methylcarbonimidoyl)piperazin-1-yl]methyl]-2-methylphenyl]-[4-[1-(propan-2-ylideneamino)ethenyl]piperazin-1-yl]methanone
CID 134513626
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2-methylbenzoyl chloride
CID 134500306
1-[4-[(3-chloro-4-methylphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 129255637
[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 134513916
[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 134501439
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
4-[5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]-2-methylbenzoyl]cyclohexane-1-carboxylic acid
CID 158324640
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine (CID 134513637) is 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine is C=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)ccc1C)N1CCN(C2=CCCC=C2C)CC1.
What is the InChIKey of 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine?
The InChIKey is BFBMVHLMTOKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4/c1-25-13-14-29(24-33-15-17-35(18-16-33)31-11-7-5-9-26(31)2)23-30(25)28(4)34-19-21-36(22-20-34)32-12-8-6-10-27(32)3/h9-14,23H,4-8,15-22,24H2,1-3H3.
What are the key properties of 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine?
1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine has a molecular weight of 484.73 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 134513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).