2-piperidin-1-ylbenzaldehyde

C12H15NO — CID 2062157

IUPAC2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeySMABIQIPGVQEEX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.49
Rot. Bonds2

About 2-piperidin-1-ylbenzaldehyde

2-piperidin-1-ylbenzaldehyde (PubChem CID 2062157) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name2-piperidin-1-ylbenzaldehyde
PubChem CID2062157
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeySMABIQIPGVQEEX-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-ylbenzaldehyde 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-piperidin-1-ylbenzaldehyde?
The IUPAC name of 2-piperidin-1-ylbenzaldehyde (CID 2062157) is 2-piperidin-1-ylbenzaldehyde.
What is the SMILES notation for 2-piperidin-1-ylbenzaldehyde?
The canonical SMILES for 2-piperidin-1-ylbenzaldehyde is O=Cc1ccccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylbenzaldehyde?
The InChIKey is SMABIQIPGVQEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 2-piperidin-1-ylbenzaldehyde?
2-piperidin-1-ylbenzaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzaldehyde is sourced from PubChem (CID 2062157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).