2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde

C15H21NO — CID 54108887

IUPAC2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
SMILESCc1c(C=O)cccc1CCC1CCNCC1
InChIInChI=1S/C15H21NO/c1-12-14(3-2-4-15(12)11-17)6-5-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeyUQEUPDUDKWPQST-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde

2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde (PubChem CID 54108887) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
PubChem CID54108887
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
SMILESCc1c(C=O)cccc1CCC1CCNCC1
InChIInChI=1S/C15H21NO/c1-12-14(3-2-4-15(12)11-17)6-5-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeyUQEUPDUDKWPQST-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde?
The IUPAC name of 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde (CID 54108887) is 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde.
What is the SMILES notation for 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde?
The canonical SMILES for 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde is Cc1c(C=O)cccc1CCC1CCNCC1.
What is the InChIKey of 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde?
The InChIKey is UQEUPDUDKWPQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-14(3-2-4-15(12)11-17)6-5-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde?
2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde has a molecular weight of 231.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde is sourced from PubChem (CID 54108887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).