1-(4-fluoro-2-nitrocyclohexyl)piperidine

C11H19FN2O2 — CID 44558469

IUPAC1-(4-fluoro-2-nitrocyclohexyl)piperidine
SMILESO=[N+]([O-])C1CC(F)CCC1N1CCCCC1
InChIInChI=1S/C11H19FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h9-11H,1-8H2
InChIKeyPXZBKSIVVQTHTJ-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-fluoro-2-nitrocyclohexyl)piperidine

1-(4-fluoro-2-nitrocyclohexyl)piperidine (PubChem CID 44558469) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrocyclohexyl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrocyclohexyl)piperidine
PubChem CID44558469
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name1-(4-fluoro-2-nitrocyclohexyl)piperidine
SMILESO=[N+]([O-])C1CC(F)CCC1N1CCCCC1
InChIInChI=1S/C11H19FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h9-11H,1-8H2
InChIKeyPXZBKSIVVQTHTJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrocyclohexyl)piperidine?
The IUPAC name of 1-(4-fluoro-2-nitrocyclohexyl)piperidine (CID 44558469) is 1-(4-fluoro-2-nitrocyclohexyl)piperidine.
What is the SMILES notation for 1-(4-fluoro-2-nitrocyclohexyl)piperidine?
The canonical SMILES for 1-(4-fluoro-2-nitrocyclohexyl)piperidine is O=[N+]([O-])C1CC(F)CCC1N1CCCCC1.
What is the InChIKey of 1-(4-fluoro-2-nitrocyclohexyl)piperidine?
The InChIKey is PXZBKSIVVQTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h9-11H,1-8H2.
What are the key properties of 1-(4-fluoro-2-nitrocyclohexyl)piperidine?
1-(4-fluoro-2-nitrocyclohexyl)piperidine has a molecular weight of 230.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrocyclohexyl)piperidine is sourced from PubChem (CID 44558469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).