(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol

C42H40F6N6O2 — CID 158338077

IUPAC(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@@H]1CCCCN1
InChIInChI=1S/2C21H20F3N3O/c2*22-21(23,24)19-9-8-13(12-26-19)18-11-15(14-5-1-2-6-16(14)27-18)20(28)17-7-3-4-10-25-17/h2*1-2,5-6,8-9,11-12,17,20,25,28H,3-4,7,10H2/t2*17-,20+/m10/s1
InChIKeyGQVCWTJPPZMALD-VFIDFJEJSA-N
MW774.81 g/mol
LogP8.98
Rot. Bonds6

About (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol

(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol (PubChem CID 158338077) has the molecular formula C42H40F6N6O2 and a molecular weight of 774.81 g/mol. Its IUPAC name is (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol.

Molecular Properties

Compound Name(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol
PubChem CID158338077
Molecular FormulaC42H40F6N6O2
Molecular Weight774.81 g/mol
Exact Mass774.31
IUPAC Name(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@@H]1CCCCN1
InChIInChI=1S/2C21H20F3N3O/c2*22-21(23,24)19-9-8-13(12-26-19)18-11-15(14-5-1-2-6-16(14)27-18)20(28)17-7-3-4-10-25-17/h2*1-2,5-6,8-9,11-12,17,20,25,28H,3-4,7,10H2/t2*17-,20+/m10/s1
InChIKeyGQVCWTJPPZMALD-VFIDFJEJSA-N
XLogP8.98
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.81
LogP ≤ 58.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

Mefloquine
CID 4046
Cinchonidine
CID 101744
Cinchonine
CID 90454
Mefloquine Hydrochloride
CID 65329
(-)-Mefloquine
CID 40692
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Alpha-quinidine
CID 2757
Hydrocinchonine, (+)-
CID 11630759
(+)-Mefloquine
CID 456309
Dihydrocinchonidine
CID 6914728
(9R)-Cinchonan-9-ol
CID 5702153
rel-(alphaR)-alpha-(2R)-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
CID 3000516

Frequently Asked Questions

What is the IUPAC name of (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol?
The IUPAC name of (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol (CID 158338077) is (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol.
What is the SMILES notation for (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol?
The canonical SMILES for (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol is O[C@@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@@H]1CCCCN1.
What is the InChIKey of (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol?
The InChIKey is GQVCWTJPPZMALD-VFIDFJEJSA-N. The full InChI is InChI=1S/2C21H20F3N3O/c2*22-21(23,24)19-9-8-13(12-26-19)18-11-15(14-5-1-2-6-16(14)27-18)20(28)17-7-3-4-10-25-17/h2*1-2,5-6,8-9,11-12,17,20,25,28H,3-4,7,10H2/t2*17-,20+/m10/s1.
What are the key properties of (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol?
(S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol has a molecular weight of 774.81 g/mol, XLogP of 8.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2R)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol;(R)-[(2S)-piperidin-2-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]methanol is sourced from PubChem (CID 158338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).