5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]

C21H29FN2 — CID 88979905

IUPAC5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESC=C1CCC(C)CC(N2CCC3(CC2)CNc2ccc(F)cc23)C1
InChIInChI=1S/C21H29FN2/c1-15-3-4-16(2)12-18(11-15)24-9-7-21(8-10-24)14-23-20-6-5-17(22)13-19(20)21/h5-6,13,16,18,23H,1,3-4,7-12,14H2,2H3
InChIKeyXTQQXHUXEDCFRN-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.72
Rot. Bonds1

About 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]

5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 88979905) has the molecular formula C21H29FN2 and a molecular weight of 328.48 g/mol. Its IUPAC name is 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID88979905
Molecular FormulaC21H29FN2
Molecular Weight328.48 g/mol
Exact Mass328.23
IUPAC Name5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESC=C1CCC(C)CC(N2CCC3(CC2)CNc2ccc(F)cc23)C1
InChIInChI=1S/C21H29FN2/c1-15-3-4-16(2)12-18(11-15)24-9-7-21(8-10-24)14-23-20-6-5-17(22)13-19(20)21/h5-6,13,16,18,23H,1,3-4,7-12,14H2,2H3
InChIKeyXTQQXHUXEDCFRN-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] (CID 88979905) is 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] is C=C1CCC(C)CC(N2CCC3(CC2)CNc2ccc(F)cc23)C1.
What is the InChIKey of 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is XTQQXHUXEDCFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2/c1-15-3-4-16(2)12-18(11-15)24-9-7-21(8-10-24)14-23-20-6-5-17(22)13-19(20)21/h5-6,13,16,18,23H,1,3-4,7-12,14H2,2H3.
What are the key properties of 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 328.48 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 88979905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).