6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride

C13H17BrClNO — CID 121207052

IUPAC6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESBrc1ccc2c(c1)CCC1(CCNCC1)O2.Cl
InChIInChI=1S/C13H16BrNO.ClH/c14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13;/h1-2,9,15H,3-8H2;1H
InChIKeyGFIIAXLQRCLQPN-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.32
Rot. Bonds

About 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride

6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (PubChem CID 121207052) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
PubChem CID121207052
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride
SMILESBrc1ccc2c(c1)CCC1(CCNCC1)O2.Cl
InChIInChI=1S/C13H16BrNO.ClH/c14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13;/h1-2,9,15H,3-8H2;1H
InChIKeyGFIIAXLQRCLQPN-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The IUPAC name of 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride (CID 121207052) is 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride.
What is the SMILES notation for 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The canonical SMILES for 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is Brc1ccc2c(c1)CCC1(CCNCC1)O2.Cl.
What is the InChIKey of 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
The InChIKey is GFIIAXLQRCLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO.ClH/c14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13;/h1-2,9,15H,3-8H2;1H.
What are the key properties of 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride?
6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride has a molecular weight of 318.64 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 121207052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).