3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]

C17H23FN2 — CID 82855956

IUPAC3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
SMILESFc1ccccc1C1CNCCC12CCN1CCCC12
InChIInChI=1S/C17H23FN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyIHQIZPNFSVGVTR-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.76
Rot. Bonds1

About 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]

3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] (PubChem CID 82855956) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine].

Molecular Properties

Compound Name3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
PubChem CID82855956
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
SMILESFc1ccccc1C1CNCCC12CCN1CCCC12
InChIInChI=1S/C17H23FN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyIHQIZPNFSVGVTR-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The IUPAC name of 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] (CID 82855956) is 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine].
What is the SMILES notation for 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The canonical SMILES for 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] is Fc1ccccc1C1CNCCC12CCN1CCCC12.
What is the InChIKey of 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The InChIKey is IHQIZPNFSVGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2.
What are the key properties of 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] has a molecular weight of 274.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] is sourced from PubChem (CID 82855956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).