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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Related Compounds

(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039
7-bromo-1-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251450
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 84751024
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 90665208
1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline
CID 164871940
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
6-bromo-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 70093166
1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
CID 117031145
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433

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).