5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde

C19H24N2O2S — CID 102379277

IUPAC5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-11-9-20(10-12-21)13-16-7-8-17(14-22)24-16/h3-8,14-15H,9-13H2,1-2H3
InChIKeyMCICUALNOYEGQB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.67
Rot. Bonds6

About 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde

5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde (PubChem CID 102379277) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
PubChem CID102379277
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-11-9-20(10-12-21)13-16-7-8-17(14-22)24-16/h3-8,14-15H,9-13H2,1-2H3
InChIKeyMCICUALNOYEGQB-UHFFFAOYSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
CID 10836245
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole-3-carbaldehyde
CID 89242111
butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide
CID 46905402
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
1-(2-nitrophenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 60538847
1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113077635
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 11661747
5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine
CID 23299985
but-2-enedioic acid;1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 160762853
1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione;hydrochloride
CID 11604156

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde (CID 102379277) is 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde is CC(C)Oc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1.
What is the InChIKey of 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde?
The InChIKey is MCICUALNOYEGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-11-9-20(10-12-21)13-16-7-8-17(14-22)24-16/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde?
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde has a molecular weight of 344.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 102379277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).