methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

C34H40F16N4O4S2 — CID 139190202

IUPACmethanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESCO.CO.O[C@@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@H]1CCCCN1.O[C@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@@H]1CCCCN1
InChIInChI=1S/2C16H16F8N2OS.2CH4O/c2*17-16(18,19)14-8-11(15(27)12-3-1-2-6-25-12)10-5-4-9(7-13(10)26-14)28(20,21,22,23)24;2*1-2/h2*4-5,7-8,12,15,25,27H,1-3,6H2;2*2H,1H3/t2*12-,15+;;/m10../s1
InChIKeyCYHQIEDBOZPLLY-KLERTBPJSA-N
MW936.82 g/mol
LogP11.39
Rot. Bonds6

About methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (PubChem CID 139190202) has the molecular formula C34H40F16N4O4S2 and a molecular weight of 936.82 g/mol. Its IUPAC name is methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Namemethanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
PubChem CID139190202
Molecular FormulaC34H40F16N4O4S2
Molecular Weight936.82 g/mol
Exact Mass936.22
IUPAC Namemethanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
SMILESCO.CO.O[C@@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@H]1CCCCN1.O[C@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@@H]1CCCCN1
InChIInChI=1S/2C16H16F8N2OS.2CH4O/c2*17-16(18,19)14-8-11(15(27)12-3-1-2-6-25-12)10-5-4-9(7-13(10)26-14)28(20,21,22,23)24;2*1-2/h2*4-5,7-8,12,15,25,27H,1-3,6H2;2*2H,1H3/t2*12-,15+;;/m10../s1
InChIKeyCYHQIEDBOZPLLY-KLERTBPJSA-N
XLogP11.39
TPSA130.76 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.82
LogP ≤ 511.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol with MolForge

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Related Compounds

(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 10047013
(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid
CID 3059439
(R)-[(2R)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol;(S)-[(2S)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 159870568
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone;methane;molecular hydrogen;hydrochloride
CID 161281228
[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 87440153
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 10321725
(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
CID 53298715

Frequently Asked Questions

What is the IUPAC name of methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The IUPAC name of methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (CID 139190202) is methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol is CO.CO.O[C@@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@H]1CCCCN1.O[C@H](c1cc(C(F)(F)F)nc2cc(S(F)(F)(F)(F)F)ccc12)[C@@H]1CCCCN1.
What is the InChIKey of methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
The InChIKey is CYHQIEDBOZPLLY-KLERTBPJSA-N. The full InChI is InChI=1S/2C16H16F8N2OS.2CH4O/c2*17-16(18,19)14-8-11(15(27)12-3-1-2-6-25-12)10-5-4-9(7-13(10)26-14)28(20,21,22,23)24;2*1-2/h2*4-5,7-8,12,15,25,27H,1-3,6H2;2*2H,1H3/t2*12-,15+;;/m10../s1.
What are the key properties of methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol?
methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol has a molecular weight of 936.82 g/mol, XLogP of 11.39, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 139190202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).