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

C20H29FN2 — CID 70957597

IUPAC5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC1CCCC(N2CCC3(CC2)CNc2ccc(F)cc23)CC1
InChIInChI=1S/C20H29FN2/c1-15-3-2-4-17(7-5-15)23-11-9-20(10-12-23)14-22-19-8-6-16(21)13-18(19)20/h6,8,13,15,17,22H,2-5,7,9-12,14H2,1H3
InChIKeyFHKNBORNAOKGGO-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.55
Rot. Bonds1

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

5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 70957597) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID70957597
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC Name5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC1CCCC(N2CCC3(CC2)CNc2ccc(F)cc23)CC1
InChIInChI=1S/C20H29FN2/c1-15-3-2-4-17(7-5-15)23-11-9-20(10-12-23)14-22-19-8-6-16(21)13-18(19)20/h6,8,13,15,17,22H,2-5,7,9-12,14H2,1H3
InChIKeyFHKNBORNAOKGGO-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] (CID 70957597) is 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] is CC1CCCC(N2CCC3(CC2)CNc2ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is FHKNBORNAOKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2/c1-15-3-2-4-17(7-5-15)23-11-9-20(10-12-23)14-22-19-8-6-16(21)13-18(19)20/h6,8,13,15,17,22H,2-5,7,9-12,14H2,1H3.
What are the key properties of 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 316.46 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(4-methylcycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 70957597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).