4-piperazin-1-ylthiophene-2-carbaldehyde

C9H12N2OS — CID 82375799

IUPAC4-piperazin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1cc(N2CCNCC2)cs1
InChIInChI=1S/C9H12N2OS/c12-6-9-5-8(7-13-9)11-3-1-10-2-4-11/h5-7,10H,1-4H2
InChIKeyQAVJQBCMHZTGIW-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.97
Rot. Bonds2

About 4-piperazin-1-ylthiophene-2-carbaldehyde

4-piperazin-1-ylthiophene-2-carbaldehyde (PubChem CID 82375799) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-piperazin-1-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-piperazin-1-ylthiophene-2-carbaldehyde
PubChem CID82375799
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name4-piperazin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1cc(N2CCNCC2)cs1
InChIInChI=1S/C9H12N2OS/c12-6-9-5-8(7-13-9)11-3-1-10-2-4-11/h5-7,10H,1-4H2
InChIKeyQAVJQBCMHZTGIW-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dibromophenyl)piperazine
CID 21331858
N-(3-piperazin-1-ylphenyl)formamide;dihydrochloride
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5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
CID 143413657
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
N-phenyl-N-(4-piperazin-1-ylphenyl)formamide
CID 57079014
4-(3-piperazin-1-ylphenyl)but-3-enal
CID 170482633
1-[5-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl]thiophen-3-yl]piperazine
CID 142780497
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
1-(3,4-difluorophenyl)piperazine
CID 2783122
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylthiophene-2-carbaldehyde?
The IUPAC name of 4-piperazin-1-ylthiophene-2-carbaldehyde (CID 82375799) is 4-piperazin-1-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-piperazin-1-ylthiophene-2-carbaldehyde?
The canonical SMILES for 4-piperazin-1-ylthiophene-2-carbaldehyde is O=Cc1cc(N2CCNCC2)cs1.
What is the InChIKey of 4-piperazin-1-ylthiophene-2-carbaldehyde?
The InChIKey is QAVJQBCMHZTGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-6-9-5-8(7-13-9)11-3-1-10-2-4-11/h5-7,10H,1-4H2.
What are the key properties of 4-piperazin-1-ylthiophene-2-carbaldehyde?
4-piperazin-1-ylthiophene-2-carbaldehyde has a molecular weight of 196.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 82375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).