5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]

C13H16F2N2 — CID 69264388

IUPAC5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCNCC2)c2cc(F)cc(F)c21
InChIInChI=1S/C13H16F2N2/c1-17-8-13(2-4-16-5-3-13)10-6-9(14)7-11(15)12(10)17/h6-7,16H,2-5,8H2,1H3
InChIKeyDSZLRBHVYIPSAJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.04
Rot. Bonds

About 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]

5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine] (PubChem CID 69264388) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]
PubChem CID69264388
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCNCC2)c2cc(F)cc(F)c21
InChIInChI=1S/C13H16F2N2/c1-17-8-13(2-4-16-5-3-13)10-6-9(14)7-11(15)12(10)17/h6-7,16H,2-5,8H2,1H3
InChIKeyDSZLRBHVYIPSAJ-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine] (CID 69264388) is 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine] is CN1CC2(CCNCC2)c2cc(F)cc(F)c21.
What is the InChIKey of 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is DSZLRBHVYIPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-17-8-13(2-4-16-5-3-13)10-6-9(14)7-11(15)12(10)17/h6-7,16H,2-5,8H2,1H3.
What are the key properties of 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]?
5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 238.28 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 69264388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).