2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde

C14H20N2O — CID 55084333

IUPAC2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
SMILESCN1CCCC(N(C)c2ccccc2C=O)C1
InChIInChI=1S/C14H20N2O/c1-15-9-5-7-13(10-15)16(2)14-8-4-3-6-12(14)11-17/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
InChIKeyMPXFQAFOJWJIDN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.03
Rot. Bonds3

About 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde

2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde (PubChem CID 55084333) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
PubChem CID55084333
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
SMILESCN1CCCC(N(C)c2ccccc2C=O)C1
InChIInChI=1S/C14H20N2O/c1-15-9-5-7-13(10-15)16(2)14-8-4-3-6-12(14)11-17/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
InChIKeyMPXFQAFOJWJIDN-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.03
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-(1-methylpiperidin-3-yl)amino]benzaldehyde?
The IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde (CID 55084333) is 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde is CN1CCCC(N(C)c2ccccc2C=O)C1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde?
The InChIKey is MPXFQAFOJWJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-9-5-7-13(10-15)16(2)14-8-4-3-6-12(14)11-17/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde?
2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde has a molecular weight of 232.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde is sourced from PubChem (CID 55084333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).