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

C19H22BrFN2 — CID 12801592

IUPAC1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide
SMILESBr.CN1CCC2(CC1)CN(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C19H21FN2.BrH/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19;/h2-9H,10-14H2,1H3;1H
InChIKeyDYHJHSQDZQGLCS-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.52
Rot. Bonds1

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

1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide (PubChem CID 12801592) has the molecular formula C19H22BrFN2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide
PubChem CID12801592
Molecular FormulaC19H22BrFN2
Molecular Weight377.30 g/mol
Exact Mass376.10
IUPAC Name1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide
SMILESBr.CN1CCC2(CC1)CN(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C19H21FN2.BrH/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19;/h2-9H,10-14H2,1H3;1H
InChIKeyDYHJHSQDZQGLCS-UHFFFAOYSA-N
XLogP4.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The IUPAC name of 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide (CID 12801592) is 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide.
What is the SMILES notation for 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The canonical SMILES for 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide is Br.CN1CCC2(CC1)CN(c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The InChIKey is DYHJHSQDZQGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2.BrH/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19;/h2-9H,10-14H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide?
1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide has a molecular weight of 377.30 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide is sourced from PubChem (CID 12801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).