1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine

C24H24N2S — CID 14947204

IUPAC1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine
SMILESC(#Cc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24N2S/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/h1-6,8-12,14,20,24H,15-19H2
InChIKeySTQLUWOFZGOZHB-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.51
Rot. Bonds4

About 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine

1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine (PubChem CID 14947204) has the molecular formula C24H24N2S and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine
PubChem CID14947204
Molecular FormulaC24H24N2S
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC Name1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine
SMILESC(#Cc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24N2S/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/h1-6,8-12,14,20,24H,15-19H2
InChIKeySTQLUWOFZGOZHB-UHFFFAOYSA-N
XLogP4.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine;hydrochloride
CID 126480014
1-benzhydryl-4-but-2-ynylpiperazine
CID 20795218
2-[4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl]isoindole-1,3-dione;dihydrochloride
CID 16806055
1-benzhydryl-4-(4-phenylmethoxybut-2-ynyl)piperazine
CID 3540151
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
CID 14947206
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
2-(4-benzhydrylpiperazin-1-yl)ethyl thiophene-2-carboxylate;dihydrochloride
CID 139748881
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-benzhydryl-4-methylpiperazine
CID 6726
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-benzhydryl-4-butylpiperazine
CID 13416419

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine (CID 14947204) is 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine is C(#Cc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine?
The InChIKey is STQLUWOFZGOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S/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/h1-6,8-12,14,20,24H,15-19H2.
What are the key properties of 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine?
1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine has a molecular weight of 372.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3-thiophen-2-ylprop-2-ynyl)piperazine is sourced from PubChem (CID 14947204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).