1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine

C13H18FN3O2 — CID 115305543

IUPAC1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18FN3O2/c1-13(15-2)5-7-16(8-6-13)11-4-3-10(14)9-12(11)17(18)19/h3-4,9,15H,5-8H2,1-2H3
InChIKeyYSYHVBMCDIFBDC-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine

1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine (PubChem CID 115305543) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
PubChem CID115305543
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18FN3O2/c1-13(15-2)5-7-16(8-6-13)11-4-3-10(14)9-12(11)17(18)19/h3-4,9,15H,5-8H2,1-2H3
InChIKeyYSYHVBMCDIFBDC-UHFFFAOYSA-N
XLogP2.31
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
CID 86810649
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
1-[4-(chloromethyl)-2-nitrophenyl]-4,4-dimethylpiperidine
CID 55154976
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 113283121
1-(azetidin-3-yl)-4-(4-fluoro-2-nitrophenyl)piperazine
CID 66203741
1-[4-(4,4-dimethylpiperidin-1-yl)-3-nitrophenyl]ethanol
CID 62930557
4-(4,4-dimethylazepan-1-yl)-N-methyl-3-nitrobenzamide
CID 133323339
N,4-dimethyl-1-(4-nitro-1,3-benzothiazol-5-yl)piperidin-4-amine
CID 115305704

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine (CID 115305543) is 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is YSYHVBMCDIFBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-13(15-2)5-7-16(8-6-13)11-4-3-10(14)9-12(11)17(18)19/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine?
1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).