4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine

C13H16F2N2O2 — CID 25223383

IUPAC4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(CCN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-9-16(10-7-13)8-5-11-1-3-12(4-2-11)17(18)19/h1-4H,5-10H2
InChIKeyQOMCVIYMMNCGHX-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.87
Rot. Bonds4

About 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine

4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine (PubChem CID 25223383) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine
PubChem CID25223383
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(CCN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-9-16(10-7-13)8-5-11-1-3-12(4-2-11)17(18)19/h1-4H,5-10H2
InChIKeyQOMCVIYMMNCGHX-UHFFFAOYSA-N
XLogP2.87
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
3,3-difluoro-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 59410316
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
CID 171776955
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
1-[2-(4-nitrophenyl)ethyl]piperidine-4-carbonitrile
CID 48939342
1'-[2-(4-nitrophenyl)ethyl]spiro[1,3-benzoxathiole-2,4'-piperidine]
CID 67726112
1-[2-(4-nitrophenyl)ethyl]-1,4,8,11-tetrazacyclotetradecane
CID 71182294
3,3-difluoro-1-[(4-nitrophenyl)methyl]piperidine
CID 59410283
(3R,4S)-3,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]-4-phenylpiperidine;hydrochloride
CID 70588703
4-fluoro-N-(4-fluorophenyl)-N-[3-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]propyl]aniline
CID 11454454

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine (CID 25223383) is 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine is O=[N+]([O-])c1ccc(CCN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine?
The InChIKey is QOMCVIYMMNCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)6-9-16(10-7-13)8-5-11-1-3-12(4-2-11)17(18)19/h1-4H,5-10H2.
What are the key properties of 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine?
4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine has a molecular weight of 270.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[2-(4-nitrophenyl)ethyl]piperidine is sourced from PubChem (CID 25223383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).