2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde

C14H16ClNO2 — CID 88817221

IUPAC2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
SMILESCC(=O)N1CCC(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H16ClNO2/c1-10(18)16-6-4-11(5-7-16)14-8-13(15)3-2-12(14)9-17/h2-3,8-9,11H,4-7H2,1H3
InChIKeyIAPOPQQPFYHJSJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.88
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde

2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde (PubChem CID 88817221) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
PubChem CID88817221
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
SMILESCC(=O)N1CCC(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H16ClNO2/c1-10(18)16-6-4-11(5-7-16)14-8-13(15)3-2-12(14)9-17/h2-3,8-9,11H,4-7H2,1H3
InChIKeyIAPOPQQPFYHJSJ-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde 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-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde (CID 88817221) is 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde is CC(=O)N1CCC(c2cc(Cl)ccc2C=O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde?
The InChIKey is IAPOPQQPFYHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(18)16-6-4-11(5-7-16)14-8-13(15)3-2-12(14)9-17/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde?
2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde has a molecular weight of 265.74 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde is sourced from PubChem (CID 88817221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).