1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide

C18H22BrN3 — CID 12801607

IUPAC1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide
SMILESBr.CN1CCC2(CC1)CN(c1ccccn1)c1ccccc12
InChIInChI=1S/C18H21N3.BrH/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18;/h2-8,11H,9-10,12-14H2,1H3;1H
InChIKeyLVCAQQMMRNJOCZ-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.77
Rot. Bonds1

About 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide

1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide (PubChem CID 12801607) has the molecular formula C18H22BrN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide.

Molecular Properties

Compound Name1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide
PubChem CID12801607
Molecular FormulaC18H22BrN3
Molecular Weight360.30 g/mol
Exact Mass359.10
IUPAC Name1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide
SMILESBr.CN1CCC2(CC1)CN(c1ccccn1)c1ccccc12
InChIInChI=1S/C18H21N3.BrH/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18;/h2-8,11H,9-10,12-14H2,1H3;1H
InChIKeyLVCAQQMMRNJOCZ-UHFFFAOYSA-N
XLogP3.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The IUPAC name of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide (CID 12801607) is 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide.
What is the SMILES notation for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The canonical SMILES for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide is Br.CN1CCC2(CC1)CN(c1ccccn1)c1ccccc12.
What is the InChIKey of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide?
The InChIKey is LVCAQQMMRNJOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.BrH/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18;/h2-8,11H,9-10,12-14H2,1H3;1H.
What are the key properties of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide?
1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide has a molecular weight of 360.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine];hydrobromide is sourced from PubChem (CID 12801607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).