1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine

C35H36N2 — CID 46784067

IUPAC1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
SMILESC(=C/c1ccccc1)\CC(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H36N2/c1-5-14-30(15-6-1)18-13-23-34(25-24-31-16-7-2-8-17-31)36-26-28-37(29-27-36)35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-22,24-25,34-35H,23,26-29H2/b18-13+,25-24+
InChIKeyFFKBIJDNNHKVGD-KNWAISMVSA-N
MW484.69 g/mol
LogP7.58
Rot. Bonds9

About 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine

1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine (PubChem CID 46784067) has the molecular formula C35H36N2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
PubChem CID46784067
Molecular FormulaC35H36N2
Molecular Weight484.69 g/mol
Exact Mass484.29
IUPAC Name1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
SMILESC(=C/c1ccccc1)\CC(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C35H36N2/c1-5-14-30(15-6-1)18-13-23-34(25-24-31-16-7-2-8-17-31)36-26-28-37(29-27-36)35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-22,24-25,34-35H,23,26-29H2/b18-13+,25-24+
InChIKeyFFKBIJDNNHKVGD-KNWAISMVSA-N
XLogP7.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
4-benzhydryl-1-oxido-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium
CID 129318758
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperidine
CID 59769476
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperidine;dihydrochloride
CID 158905589
(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine
CID 82041768
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
4-(1,3-diphenylprop-2-enyl)morpholine
CID 56612112
1-benzhydryl-4-methylpiperazine
CID 6726
[4-benzhydryl-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl tert-butyl hydrogen phosphate chloride
CID 11801192
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine (CID 46784067) is 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine is C(=C/c1ccccc1)\CC(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine?
The InChIKey is FFKBIJDNNHKVGD-KNWAISMVSA-N. The full InChI is InChI=1S/C35H36N2/c1-5-14-30(15-6-1)18-13-23-34(25-24-31-16-7-2-8-17-31)36-26-28-37(29-27-36)35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-22,24-25,34-35H,23,26-29H2/b18-13+,25-24+.
What are the key properties of 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine?
1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine has a molecular weight of 484.69 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine is sourced from PubChem (CID 46784067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).