(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

C44H42F6N4O2 — CID 159870568

IUPAC(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
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@H]1CCCCN1
InChIInChI=1S/2C22H21F3N2O/c2*23-22(24,25)15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)27-20)21(28)19-7-3-4-12-26-19/h2*1-2,5-6,8-11,13,19,21,26,28H,3-4,7,12H2/t2*19-,21-/m10/s1
InChIKeyNSHDLEOZYKPITR-OTXRKKOMSA-N
MW772.83 g/mol
LogP10.19
Rot. Bonds6

About (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

(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 (PubChem CID 159870568) has the molecular formula C44H42F6N4O2 and a molecular weight of 772.83 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159870568
Molecular FormulaC44H42F6N4O2
Molecular Weight772.83 g/mol
Exact Mass772.32
IUPAC Name(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
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@H]1CCCCN1
InChIInChI=1S/2C22H21F3N2O/c2*23-22(24,25)15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)27-20)21(28)19-7-3-4-12-26-19/h2*1-2,5-6,8-11,13,19,21,26,28H,3-4,7,12H2/t2*19-,21-/m10/s1
InChIKeyNSHDLEOZYKPITR-OTXRKKOMSA-N
XLogP10.19
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.83
LogP ≤ 510.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
CID 53298715
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
CID 78129978
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
5-[4-[(R)-hydroxy-[(2S)-piperidin-2-yl]methyl]quinolin-2-yl]-2-methylbenzonitrile;dihydrochloride
CID 155566383
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 10321725
[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]-(1-tritylpyrrolidin-2-yl)methanol
CID 102189843
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774
[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 87440153
2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline
CID 121481969
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@@H]1CCCCN1.O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12)[C@H]1CCCCN1.
What is the InChIKey of (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?
The InChIKey is NSHDLEOZYKPITR-OTXRKKOMSA-N. The full InChI is InChI=1S/2C22H21F3N2O/c2*23-22(24,25)15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)27-20)21(28)19-7-3-4-12-26-19/h2*1-2,5-6,8-11,13,19,21,26,28H,3-4,7,12H2/t2*19-,21-/m10/s1.
What are the key properties of (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?
(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 has a molecular weight of 772.83 g/mol, XLogP of 10.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159870568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).