2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde

C15H22N2O — CID 17325523

IUPAC2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
SMILESCc1cc(C)c(CN2CCN(C)CC2)cc1C=O
InChIInChI=1S/C15H22N2O/c1-12-8-13(2)15(11-18)9-14(12)10-17-6-4-16(3)5-7-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWTPRFYCTSCXCPW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds3

About 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde

2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde (PubChem CID 17325523) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
PubChem CID17325523
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
SMILESCc1cc(C)c(CN2CCN(C)CC2)cc1C=O
InChIInChI=1S/C15H22N2O/c1-12-8-13(2)15(11-18)9-14(12)10-17-6-4-16(3)5-7-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWTPRFYCTSCXCPW-UHFFFAOYSA-N
XLogP1.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
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 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde?
The IUPAC name of 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde (CID 17325523) is 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde.
What is the SMILES notation for 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde?
The canonical SMILES for 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde is Cc1cc(C)c(CN2CCN(C)CC2)cc1C=O.
What is the InChIKey of 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde?
The InChIKey is WTPRFYCTSCXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-8-13(2)15(11-18)9-14(12)10-17-6-4-16(3)5-7-17/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde?
2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde is sourced from PubChem (CID 17325523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).