2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde

C18H17F2NO — CID 156503597

IUPAC2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde
SMILESO=Cc1ccccc1N1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C18H17F2NO/c19-15-5-3-6-16(20)18(15)13-8-10-21(11-9-13)17-7-2-1-4-14(17)12-22/h1-7,12-13H,8-11H2
InChIKeyMNAXGVDSHJSESZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.16
Rot. Bonds3

About 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde

2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde (PubChem CID 156503597) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde
PubChem CID156503597
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde
SMILESO=Cc1ccccc1N1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C18H17F2NO/c19-15-5-3-6-16(20)18(15)13-8-10-21(11-9-13)17-7-2-1-4-14(17)12-22/h1-7,12-13H,8-11H2
InChIKeyMNAXGVDSHJSESZ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-difluorophenyl)piperidin-1-yl]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-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde?
The IUPAC name of 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde (CID 156503597) is 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde is O=Cc1ccccc1N1CCC(c2c(F)cccc2F)CC1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde?
The InChIKey is MNAXGVDSHJSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-5-3-6-16(20)18(15)13-8-10-21(11-9-13)17-7-2-1-4-14(17)12-22/h1-7,12-13H,8-11H2.
What are the key properties of 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde?
2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde has a molecular weight of 301.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)piperidin-1-yl]benzaldehyde is sourced from PubChem (CID 156503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).