8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline

C17H17FN4 — CID 99793011

IUPAC8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
SMILESFc1cccc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ccnc12
InChIInChI=1S/C17H17FN4/c18-14-5-1-4-13-16(7-8-19-17(13)14)22-10-2-3-12(11-22)15-6-9-20-21-15/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m1/s1
InChIKeyIPYVKDAVMALQHO-GFCCVEGCSA-N
MW296.35 g/mol
LogP3.48
Rot. Bonds2

About 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline

8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline (PubChem CID 99793011) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
PubChem CID99793011
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
SMILESFc1cccc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ccnc12
InChIInChI=1S/C17H17FN4/c18-14-5-1-4-13-16(7-8-19-17(13)14)22-10-2-3-12(11-22)15-6-9-20-21-15/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m1/s1
InChIKeyIPYVKDAVMALQHO-GFCCVEGCSA-N
XLogP3.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(8-fluoroquinolin-4-yl)-2-[(2S)-oxolan-2-yl]morpholine
CID 99858863
(2S)-4-(8-fluoroquinolin-4-yl)-2-[(2R)-oxolan-2-yl]morpholine
CID 129433208
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
CID 167863990
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756639
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
3-[(3R)-1-(8-fluoroquinazolin-4-yl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136691027
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline?
The IUPAC name of 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline (CID 99793011) is 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline is Fc1cccc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ccnc12.
What is the InChIKey of 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline?
The InChIKey is IPYVKDAVMALQHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN4/c18-14-5-1-4-13-16(7-8-19-17(13)14)22-10-2-3-12(11-22)15-6-9-20-21-15/h1,4-9,12H,2-3,10-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline?
8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline has a molecular weight of 296.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 99793011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).