3-(5-methyl-2-piperidin-1-ylphenyl)propanal

C15H21NO — CID 117335122

IUPAC3-(5-methyl-2-piperidin-1-ylphenyl)propanal
SMILESCc1ccc(N2CCCCC2)c(CCC=O)c1
InChIInChI=1S/C15H21NO/c1-13-7-8-15(14(12-13)6-5-11-17)16-9-3-2-4-10-16/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyFCGWLLWXYCNAME-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.12
Rot. Bonds4

About 3-(5-methyl-2-piperidin-1-ylphenyl)propanal

3-(5-methyl-2-piperidin-1-ylphenyl)propanal (PubChem CID 117335122) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(5-methyl-2-piperidin-1-ylphenyl)propanal.

Molecular Properties

Compound Name3-(5-methyl-2-piperidin-1-ylphenyl)propanal
PubChem CID117335122
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(5-methyl-2-piperidin-1-ylphenyl)propanal
SMILESCc1ccc(N2CCCCC2)c(CCC=O)c1
InChIInChI=1S/C15H21NO/c1-13-7-8-15(14(12-13)6-5-11-17)16-9-3-2-4-10-16/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyFCGWLLWXYCNAME-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-piperidin-1-ylphenyl)propanal?
The IUPAC name of 3-(5-methyl-2-piperidin-1-ylphenyl)propanal (CID 117335122) is 3-(5-methyl-2-piperidin-1-ylphenyl)propanal.
What is the SMILES notation for 3-(5-methyl-2-piperidin-1-ylphenyl)propanal?
The canonical SMILES for 3-(5-methyl-2-piperidin-1-ylphenyl)propanal is Cc1ccc(N2CCCCC2)c(CCC=O)c1.
What is the InChIKey of 3-(5-methyl-2-piperidin-1-ylphenyl)propanal?
The InChIKey is FCGWLLWXYCNAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13-7-8-15(14(12-13)6-5-11-17)16-9-3-2-4-10-16/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 3-(5-methyl-2-piperidin-1-ylphenyl)propanal?
3-(5-methyl-2-piperidin-1-ylphenyl)propanal has a molecular weight of 231.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-piperidin-1-ylphenyl)propanal is sourced from PubChem (CID 117335122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).