3-(3,4-difluoro-5-nitrophenyl)piperidine

C11H12F2N2O2 — CID 117357182

IUPAC3-(3,4-difluoro-5-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2
InChIKeyRJQNFMPKYULHDG-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,4-difluoro-5-nitrophenyl)piperidine

3-(3,4-difluoro-5-nitrophenyl)piperidine (PubChem CID 117357182) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-nitrophenyl)piperidine.

Molecular Properties

Compound Name3-(3,4-difluoro-5-nitrophenyl)piperidine
PubChem CID117357182
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3-(3,4-difluoro-5-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2
InChIKeyRJQNFMPKYULHDG-UHFFFAOYSA-N
XLogP2.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,4-difluoro-5-nitrophenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluoro-5-nitrophenyl)morpholine
CID 117361894
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
CID 130039488
4-(3-fluoro-4-nitrophenyl)piperidine
CID 83403967
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
CID 175797855
2,4-difluoro-5-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554250

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The IUPAC name of 3-(3,4-difluoro-5-nitrophenyl)piperidine (CID 117357182) is 3-(3,4-difluoro-5-nitrophenyl)piperidine.
What is the SMILES notation for 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The canonical SMILES for 3-(3,4-difluoro-5-nitrophenyl)piperidine is O=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The InChIKey is RJQNFMPKYULHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2.
What are the key properties of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
3-(3,4-difluoro-5-nitrophenyl)piperidine has a molecular weight of 242.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-5-nitrophenyl)piperidine is sourced from PubChem (CID 117357182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).