2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde

C15H22N2O — CID 55038619

IUPAC2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde
SMILESCCCN1CCN(c2ccc(C=O)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-3-6-16-7-9-17(10-8-16)15-5-4-14(12-18)13(2)11-15/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyCSGVCSYZPLNGJZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde

2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde (PubChem CID 55038619) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde
PubChem CID55038619
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde
SMILESCCCN1CCN(c2ccc(C=O)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-3-6-16-7-9-17(10-8-16)15-5-4-14(12-18)13(2)11-15/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyCSGVCSYZPLNGJZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde?
The IUPAC name of 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde (CID 55038619) is 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde.
What is the SMILES notation for 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde?
The canonical SMILES for 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde is CCCN1CCN(c2ccc(C=O)c(C)c2)CC1.
What is the InChIKey of 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde?
The InChIKey is CSGVCSYZPLNGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-6-16-7-9-17(10-8-16)15-5-4-14(12-18)13(2)11-15/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde?
2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde is sourced from PubChem (CID 55038619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).