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

C19H20ClFN2 — CID 12801621

IUPAC6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12
InChIInChI=1S/C19H20ClFN2/c1-22-10-8-19(9-11-22)13-23(17-5-3-2-4-16(17)21)18-12-14(20)6-7-15(18)19/h2-7,12H,8-11,13H2,1H3
InChIKeyBSERNWGYMMEPSD-UHFFFAOYSA-N
MW330.83 g/mol
LogP4.59
Rot. Bonds1

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

6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] (PubChem CID 12801621) has the molecular formula C19H20ClFN2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
PubChem CID12801621
Molecular FormulaC19H20ClFN2
Molecular Weight330.83 g/mol
Exact Mass330.13
IUPAC Name6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12
InChIInChI=1S/C19H20ClFN2/c1-22-10-8-19(9-11-22)13-23(17-5-3-2-4-16(17)21)18-12-14(20)6-7-15(18)19/h2-7,12H,8-11,13H2,1H3
InChIKeyBSERNWGYMMEPSD-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3,3-trimethyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44336154
8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 45264452
2-fluoroethyl 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 137652513
5H-Dibenz(b,f)azepine, 7-chloro-10-(2-(dimethylamino)ethyl)-5-methyl-
CID 207676
1-Piperidineethanamine, N-(3-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride
CID 3051646
6-chloro-3,3-dimethyl-2,3-dihydro-1H-indole
CID 20446874
Elanzepine
CID 208912
1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
CID 12801588
1-(4-Chlorophenyl)-1'-methylspiro[indoline-3,4'-piperidine]
CID 12801589
1'-methyl-1-[3-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
CID 12801590
1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide
CID 12801592
1'-Methyl-1-phenylspiro[indoline-3,4'-piperidine]
CID 12801593

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] (CID 12801621) is 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] is CN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is BSERNWGYMMEPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2/c1-22-10-8-19(9-11-22)13-23(17-5-3-2-4-16(17)21)18-12-14(20)6-7-15(18)19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 330.83 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).