1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine

C11H13FIN3O2 — CID 66101647

IUPAC1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
SMILESNC1CCCN(c2cc(F)c(I)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H13FIN3O2/c12-8-4-10(11(16(17)18)5-9(8)13)15-3-1-2-7(14)6-15/h4-5,7H,1-3,6,14H2
InChIKeyBAUTVTKFHCBIKN-UHFFFAOYSA-N
MW365.15 g/mol
LogP2.27
Rot. Bonds2

About 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine

1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine (PubChem CID 66101647) has the molecular formula C11H13FIN3O2 and a molecular weight of 365.15 g/mol. Its IUPAC name is 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
PubChem CID66101647
Molecular FormulaC11H13FIN3O2
Molecular Weight365.15 g/mol
Exact Mass365.00
IUPAC Name1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
SMILESNC1CCCN(c2cc(F)c(I)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H13FIN3O2/c12-8-4-10(11(16(17)18)5-9(8)13)15-3-1-2-7(14)6-15/h4-5,7H,1-3,6,14H2
InChIKeyBAUTVTKFHCBIKN-UHFFFAOYSA-N
XLogP2.27
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-yl]ethanol
CID 66101076
1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
CID 66101666
1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 102959237
1-(5-fluoro-4-iodo-2-nitrophenyl)azetidine-3-carboxylic acid
CID 66086940
1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylpiperazine
CID 66086754
methyl 5-(3-aminopiperidin-1-yl)-2-fluoro-4-nitrobenzoate
CID 104699761
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 66086945
4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
CID 66088671
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine?
The IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine (CID 66101647) is 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine?
The canonical SMILES for 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine is NC1CCCN(c2cc(F)c(I)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine?
The InChIKey is BAUTVTKFHCBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FIN3O2/c12-8-4-10(11(16(17)18)5-9(8)13)15-3-1-2-7(14)6-15/h4-5,7H,1-3,6,14H2.
What are the key properties of 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine?
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine has a molecular weight of 365.15 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 66101647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).