2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde

C15H22N2O — CID 62772678

IUPAC2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde
SMILESCCC(C)N1CCN(c2ccccc2C=O)CC1
InChIInChI=1S/C15H22N2O/c1-3-13(2)16-8-10-17(11-9-16)15-7-5-4-6-14(15)12-18/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeySJJVLPKIEFRAAB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde

2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde (PubChem CID 62772678) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde
PubChem CID62772678
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde
SMILESCCC(C)N1CCN(c2ccccc2C=O)CC1
InChIInChI=1S/C15H22N2O/c1-3-13(2)16-8-10-17(11-9-16)15-7-5-4-6-14(15)12-18/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeySJJVLPKIEFRAAB-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
2-(4-butan-2-ylpiperazin-1-yl)-6-chlorobenzoic acid
CID 62773833
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
CID 89260021
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzaldehyde
CID 62968933
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215390
2-(3-methylsulfanylazetidin-1-yl)benzaldehyde
CID 167494752
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde (CID 62772678) is 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde is CCC(C)N1CCN(c2ccccc2C=O)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde?
The InChIKey is SJJVLPKIEFRAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-13(2)16-8-10-17(11-9-16)15-7-5-4-6-14(15)12-18/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde?
2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde is sourced from PubChem (CID 62772678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).