1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine

C24H26N2S — CID 14947206

IUPAC1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccs1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N2S/c1-3-9-21(10-4-1)24(22-11-5-2-6-12-22)26-18-16-25(17-19-26)15-7-13-23-14-8-20-27-23/h1-14,20,24H,15-19H2/b13-7+
InChIKeyIWXCEIJXTDXKTD-NTUHNPAUSA-N
MW374.55 g/mol
LogP5.17
Rot. Bonds6

About 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine

1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine (PubChem CID 14947206) has the molecular formula C24H26N2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
PubChem CID14947206
Molecular FormulaC24H26N2S
Molecular Weight374.55 g/mol
Exact Mass374.18
IUPAC Name1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccs1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H26N2S/c1-3-9-21(10-4-1)24(22-11-5-2-6-12-22)26-18-16-25(17-19-26)15-7-13-23-14-8-20-27-23/h1-14,20,24H,15-19H2/b13-7+
InChIKeyIWXCEIJXTDXKTD-NTUHNPAUSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
(E)-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 66918222
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
(E)-N-(4-benzhydrylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6234997
1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 6366671
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine
CID 14947204
4-[(1E,3E)-5-(4-benzhydrylpiperazin-1-yl)penta-1,3-dienyl]-2,6-dimethoxyphenol
CID 21280912
1-benzhydryl-4-[5-(2,3,4-trimethoxyphenyl)penta-2,4-dienyl]piperazine
CID 54084270
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
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
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine (CID 14947206) is 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine is C(=C/c1cccs1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The InChIKey is IWXCEIJXTDXKTD-NTUHNPAUSA-N. The full InChI is InChI=1S/C24H26N2S/c1-3-9-21(10-4-1)24(22-11-5-2-6-12-22)26-18-16-25(17-19-26)15-7-13-23-14-8-20-27-23/h1-14,20,24H,15-19H2/b13-7+.
What are the key properties of 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine has a molecular weight of 374.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine is sourced from PubChem (CID 14947206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).