[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate

C18H21FN2O2 — CID 175115794

IUPAC[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
SMILESCCCC(=O)OC1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H21FN2O2/c1-2-3-18(22)23-14-7-10-21(11-8-14)17-6-9-20-16-5-4-13(19)12-15(16)17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3
InChIKeyZTXWFOTUFAISJV-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.69
Rot. Bonds4

About [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate

[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate (PubChem CID 175115794) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate.

Molecular Properties

Compound Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
PubChem CID175115794
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
SMILESCCCC(=O)OC1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H21FN2O2/c1-2-3-18(22)23-14-7-10-21(11-8-14)17-6-9-20-16-5-4-13(19)12-15(16)17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3
InChIKeyZTXWFOTUFAISJV-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
CID 146794529
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
CID 162228825
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate?
The IUPAC name of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate (CID 175115794) is [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate.
What is the SMILES notation for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate?
The canonical SMILES for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate is CCCC(=O)OC1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate?
The InChIKey is ZTXWFOTUFAISJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-3-18(22)23-14-7-10-21(11-8-14)17-6-9-20-16-5-4-13(19)12-15(16)17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3.
What are the key properties of [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate?
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate has a molecular weight of 316.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate is sourced from PubChem (CID 175115794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).