1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]

C16H22ClFN2 — CID 58172218

IUPAC1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]
SMILESCC(C)(C)N1CC2(CCNCC2)c2cc(Cl)c(F)cc21
InChIInChI=1S/C16H22ClFN2/c1-15(2,3)20-10-16(4-6-19-7-5-16)11-8-12(17)13(18)9-14(11)20/h8-9,19H,4-7,10H2,1-3H3
InChIKeyPHPCKGLLYNKGPH-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.72
Rot. Bonds

About 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]

1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine] (PubChem CID 58172218) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]
PubChem CID58172218
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]
SMILESCC(C)(C)N1CC2(CCNCC2)c2cc(Cl)c(F)cc21
InChIInChI=1S/C16H22ClFN2/c1-15(2,3)20-10-16(4-6-19-7-5-16)11-8-12(17)13(18)9-14(11)20/h8-9,19H,4-7,10H2,1-3H3
InChIKeyPHPCKGLLYNKGPH-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine] (CID 58172218) is 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine] is CC(C)(C)N1CC2(CCNCC2)c2cc(Cl)c(F)cc21.
What is the InChIKey of 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]?
The InChIKey is PHPCKGLLYNKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-15(2,3)20-10-16(4-6-19-7-5-16)11-8-12(17)13(18)9-14(11)20/h8-9,19H,4-7,10H2,1-3H3.
What are the key properties of 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine]?
1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine] has a molecular weight of 296.82 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-chloro-6-fluorospiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 58172218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).