1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol

C12H14FIN2O3 — CID 102959237

IUPAC1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(F)c(I)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H14FIN2O3/c1-7-2-3-15(6-12(7)17)10-4-8(13)9(14)5-11(10)16(18)19/h4-5,7,12,17H,2-3,6H2,1H3
InChIKeyGVTFZXNJUFJVJK-UHFFFAOYSA-N
MW380.16 g/mol
LogP2.55
Rot. Bonds2

About 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol

1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol (PubChem CID 102959237) has the molecular formula C12H14FIN2O3 and a molecular weight of 380.16 g/mol. Its IUPAC name is 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
PubChem CID102959237
Molecular FormulaC12H14FIN2O3
Molecular Weight380.16 g/mol
Exact Mass380.00
IUPAC Name1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(F)c(I)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H14FIN2O3/c1-7-2-3-15(6-12(7)17)10-4-8(13)9(14)5-11(10)16(18)19/h4-5,7,12,17H,2-3,6H2,1H3
InChIKeyGVTFZXNJUFJVJK-UHFFFAOYSA-N
XLogP2.55
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 52.55
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

1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
CID 66101666
1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylpiperazine
CID 66086754
1-(5-fluoro-4-iodo-2-nitrophenyl)azetidine-3-carboxylic acid
CID 66086940
1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-amine
CID 66101647
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 103896080
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)piperidin-3-yl]ethanol
CID 66101076
4-(5-fluoro-4-iodo-2-nitrophenyl)morpholine-2-carboxylic acid
CID 66088671
1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959789
1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959765
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 66086945
1-(2-iodo-5-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58720907
6-(3-hydroxy-4-methylpiperidin-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one
CID 133446502

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol (CID 102959237) is 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol is CC1CCN(c2cc(F)c(I)cc2[N+](=O)[O-])CC1O.
What is the InChIKey of 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol?
The InChIKey is GVTFZXNJUFJVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O3/c1-7-2-3-15(6-12(7)17)10-4-8(13)9(14)5-11(10)16(18)19/h4-5,7,12,17H,2-3,6H2,1H3.
What are the key properties of 1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol?
1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol has a molecular weight of 380.16 g/mol, XLogP of 2.55, 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)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).