1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride

C26H30Cl2N2 — CID 6444556

IUPAC1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
SMILESC(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H28N2.2ClH/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25;;/h1-17,26H,18-22H2;2*1H/b13-10+;;
InChIKeyLFZJFDJDYASRCA-JFXLULTRSA-N
MW441.45 g/mol
LogP5.95
Rot. Bonds6

About 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride (PubChem CID 6444556) has the molecular formula C26H30Cl2N2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
PubChem CID6444556
Molecular FormulaC26H30Cl2N2
Molecular Weight441.45 g/mol
Exact Mass440.18
IUPAC Name1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
SMILESC(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H28N2.2ClH/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25;;/h1-17,26H,18-22H2;2*1H/b13-10+;;
InChIKeyLFZJFDJDYASRCA-JFXLULTRSA-N
XLogP5.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
CID 14947206
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
[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
CID 143877293
1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
CID 46784067
1-(3-phenylprop-2-enyl)-4-[(R)-phenyl-[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 91200243
1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 6366671
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91551545
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690019
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride (CID 6444556) is 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride is C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride?
The InChIKey is LFZJFDJDYASRCA-JFXLULTRSA-N. The full InChI is InChI=1S/C26H28N2.2ClH/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25;;/h1-17,26H,18-22H2;2*1H/b13-10+;;.
What are the key properties of 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride?
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride has a molecular weight of 441.45 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 6444556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).