5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride

C13H15ClFN3 — CID 175962156

IUPAC5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride
SMILESCl.Fc1cccc2nnc(C3CCNCC3)cc12
InChIInChI=1S/C13H14FN3.ClH/c14-11-2-1-3-12-10(11)8-13(17-16-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H
InChIKeyQXKWNOVYVPWTPS-UHFFFAOYSA-N
MW267.73 g/mol
LogP2.66
Rot. Bonds1

About 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride

5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride (PubChem CID 175962156) has the molecular formula C13H15ClFN3 and a molecular weight of 267.73 g/mol. Its IUPAC name is 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride
PubChem CID175962156
Molecular FormulaC13H15ClFN3
Molecular Weight267.73 g/mol
Exact Mass267.09
IUPAC Name5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride
SMILESCl.Fc1cccc2nnc(C3CCNCC3)cc12
InChIInChI=1S/C13H14FN3.ClH/c14-11-2-1-3-12-10(11)8-13(17-16-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H
InChIKeyQXKWNOVYVPWTPS-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
CID 146585605
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
4-(2,3-difluorophenyl)azepane
CID 83262443
2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]thiazolo[5,4-c]pyridine;formic acid
CID 146585641
4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084480
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 118483483
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
8-fluoro-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 105474056
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride?
The IUPAC name of 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride (CID 175962156) is 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride.
What is the SMILES notation for 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride?
The canonical SMILES for 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride is Cl.Fc1cccc2nnc(C3CCNCC3)cc12.
What is the InChIKey of 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride?
The InChIKey is QXKWNOVYVPWTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3.ClH/c14-11-2-1-3-12-10(11)8-13(17-16-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H.
What are the key properties of 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride?
5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride has a molecular weight of 267.73 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-piperidin-4-ylcinnoline;hydrochloride is sourced from PubChem (CID 175962156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).