[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate

C17H22F2N2O2 — CID 24856422

IUPAC[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCCCC1
InChIInChI=1S/C17H22F2N2O2/c18-13-6-7-16(15(19)11-13)21-10-4-5-14(12-21)23-17(22)20-8-2-1-3-9-20/h6-7,11,14H,1-5,8-10,12H2
InChIKeyPVBVNWDIJCSSOZ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.56
Rot. Bonds2

About [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate

[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate (PubChem CID 24856422) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate
PubChem CID24856422
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCCCC1
InChIInChI=1S/C17H22F2N2O2/c18-13-6-7-16(15(19)11-13)21-10-4-5-14(12-21)23-17(22)20-8-2-1-3-9-20/h6-7,11,14H,1-5,8-10,12H2
InChIKeyPVBVNWDIJCSSOZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate 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 [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate?
The IUPAC name of [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate (CID 24856422) is [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate.
What is the SMILES notation for [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate?
The canonical SMILES for [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate is O=C(OC1CCCN(c2ccc(F)cc2F)C1)N1CCCCC1.
What is the InChIKey of [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate?
The InChIKey is PVBVNWDIJCSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-13-6-7-16(15(19)11-13)21-10-4-5-14(12-21)23-17(22)20-8-2-1-3-9-20/h6-7,11,14H,1-5,8-10,12H2.
What are the key properties of [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate?
[1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate has a molecular weight of 324.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)piperidin-3-yl] piperidine-1-carboxylate is sourced from PubChem (CID 24856422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).