1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]

C19H21BrN2 — CID 66655933

IUPAC1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]
SMILESBrc1cnc2c(c1)CCC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2/c20-17-12-16-6-7-19(18(16)21-13-17)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2
InChIKeyIRIPZORUTXBNPV-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.32
Rot. Bonds2

About 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]

1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine] (PubChem CID 66655933) has the molecular formula C19H21BrN2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]
PubChem CID66655933
Molecular FormulaC19H21BrN2
Molecular Weight357.29 g/mol
Exact Mass356.09
IUPAC Name1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]
SMILESBrc1cnc2c(c1)CCC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2/c20-17-12-16-6-7-19(18(16)21-13-17)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2
InChIKeyIRIPZORUTXBNPV-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine] (CID 66655933) is 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine] is Brc1cnc2c(c1)CCC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]?
The InChIKey is IRIPZORUTXBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2/c20-17-12-16-6-7-19(18(16)21-13-17)8-10-22(11-9-19)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2.
What are the key properties of 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]?
1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine] has a molecular weight of 357.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3-bromospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 66655933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).