6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline

C14H19BrN2 — CID 171525009

IUPAC6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
SMILESBrc1ccc2c(c1)CCCN2C1CCNCC1
InChIInChI=1S/C14H19BrN2/c15-12-3-4-14-11(10-12)2-1-9-17(14)13-5-7-16-8-6-13/h3-4,10,13,16H,1-2,5-9H2
InChIKeyDQDOSSGXUNKPFZ-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.95
Rot. Bonds1

About 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline

6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline (PubChem CID 171525009) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
PubChem CID171525009
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
SMILESBrc1ccc2c(c1)CCCN2C1CCNCC1
InChIInChI=1S/C14H19BrN2/c15-12-3-4-14-11(10-12)2-1-9-17(14)13-5-7-16-8-6-13/h3-4,10,13,16H,1-2,5-9H2
InChIKeyDQDOSSGXUNKPFZ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline (CID 171525009) is 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline is Brc1ccc2c(c1)CCCN2C1CCNCC1.
What is the InChIKey of 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline?
The InChIKey is DQDOSSGXUNKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-12-3-4-14-11(10-12)2-1-9-17(14)13-5-7-16-8-6-13/h3-4,10,13,16H,1-2,5-9H2.
What are the key properties of 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline?
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline has a molecular weight of 295.22 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 171525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).