4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine

C11H17FN4O — CID 89281077

IUPAC4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine
SMILESO=Nc1nccn1CCCN1CCC(F)CC1
InChIInChI=1S/C11H17FN4O/c12-10-2-7-15(8-3-10)5-1-6-16-9-4-13-11(16)14-17/h4,9-10H,1-3,5-8H2
InChIKeyXOEDNVPPAVPHOF-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.11
Rot. Bonds5

About 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine

4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine (PubChem CID 89281077) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine
PubChem CID89281077
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine
SMILESO=Nc1nccn1CCCN1CCC(F)CC1
InChIInChI=1S/C11H17FN4O/c12-10-2-7-15(8-3-10)5-1-6-16-9-4-13-11(16)14-17/h4,9-10H,1-3,5-8H2
InChIKeyXOEDNVPPAVPHOF-UHFFFAOYSA-N
XLogP2.11
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine?
The IUPAC name of 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine (CID 89281077) is 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine is O=Nc1nccn1CCCN1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine?
The InChIKey is XOEDNVPPAVPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-10-2-7-15(8-3-10)5-1-6-16-9-4-13-11(16)14-17/h4,9-10H,1-3,5-8H2.
What are the key properties of 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine?
4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine has a molecular weight of 240.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[3-(2-nitrosoimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 89281077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).