6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]

C18H18ClFN2 — CID 12801623

IUPAC6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESFc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H18ClFN2/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18/h1-6,11,21H,7-10,12H2
InChIKeyGGBMWGALIWEKBO-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.25
Rot. Bonds1

About 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]

6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 12801623) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID12801623
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESFc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H18ClFN2/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18/h1-6,11,21H,7-10,12H2
InChIKeyGGBMWGALIWEKBO-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine] (CID 12801623) is 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine] is Fc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is GGBMWGALIWEKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18/h1-6,11,21H,7-10,12H2.
What are the key properties of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]?
6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 316.81 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).