1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine

C18H20ClN3O — CID 68902320

IUPAC1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
SMILESNc1ncc2c(c1Cl)COC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-14-12-23-18(15(14)10-21-17(16)20)6-8-22(9-7-18)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,20,21)
InChIKeyOCUMRYURHHPRSA-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.34
Rot. Bonds2

About 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine

1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine (PubChem CID 68902320) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine.

Molecular Properties

Compound Name1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
PubChem CID68902320
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
SMILESNc1ncc2c(c1Cl)COC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-14-12-23-18(15(14)10-21-17(16)20)6-8-22(9-7-18)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,20,21)
InChIKeyOCUMRYURHHPRSA-UHFFFAOYSA-N
XLogP3.34
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine?
The IUPAC name of 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine (CID 68902320) is 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine.
What is the SMILES notation for 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine?
The canonical SMILES for 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine is Nc1ncc2c(c1Cl)COC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine?
The InChIKey is OCUMRYURHHPRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-14-12-23-18(15(14)10-21-17(16)20)6-8-22(9-7-18)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,20,21).
What are the key properties of 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine?
1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine has a molecular weight of 329.83 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine is sourced from PubChem (CID 68902320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).