8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid

C16H16F4N2O3 — CID 71426992

IUPAC8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid
SMILESFc1cc(OC2CCCNC2)cc2ccncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15FN2O.C2HF3O2/c15-14-7-12(18-11-2-1-4-16-8-11)6-10-3-5-17-9-13(10)14;3-2(4,5)1(6)7/h3,5-7,9,11,16H,1-2,4,8H2;(H,6,7)
InChIKeyHIRJPQZSAAXQMS-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.14
Rot. Bonds2

About 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid

8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid (PubChem CID 71426992) has the molecular formula C16H16F4N2O3 and a molecular weight of 360.31 g/mol. Its IUPAC name is 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid
PubChem CID71426992
Molecular FormulaC16H16F4N2O3
Molecular Weight360.31 g/mol
Exact Mass360.11
IUPAC Name8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid
SMILESFc1cc(OC2CCCNC2)cc2ccncc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15FN2O.C2HF3O2/c15-14-7-12(18-11-2-1-4-16-8-11)6-10-3-5-17-9-13(10)14;3-2(4,5)1(6)7/h3,5-7,9,11,16H,1-2,4,8H2;(H,6,7)
InChIKeyHIRJPQZSAAXQMS-UHFFFAOYSA-N
XLogP3.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid
CID 170306643
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724
(3R)-3-phenoxypiperidine
CID 42553363
2-fluoro-4-piperidin-3-yloxyaniline
CID 89089134
5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
CID 86709771
2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
CID 170886796
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
CID 161080685
6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;2,2,2-trifluoroacetic acid
CID 162326303
2-fluoro-4-[(3R)-piperidin-3-yl]oxybenzonitrile
CID 86333460
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid (CID 71426992) is 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid is Fc1cc(OC2CCCNC2)cc2ccncc12.O=C(O)C(F)(F)F.
What is the InChIKey of 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is HIRJPQZSAAXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O.C2HF3O2/c15-14-7-12(18-11-2-1-4-16-8-11)6-10-3-5-17-9-13(10)14;3-2(4,5)1(6)7/h3,5-7,9,11,16H,1-2,4,8H2;(H,6,7).
What are the key properties of 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid?
8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 360.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71426992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).