piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol

C23H20F6N2O — CID 10321725

IUPACpiperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
SMILESOC(c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C23H20F6N2O/c24-22(25,26)14-6-3-5-13(11-14)19-12-16(21(32)18-9-1-2-10-30-18)15-7-4-8-17(20(15)31-19)23(27,28)29/h3-8,11-12,18,21,30,32H,1-2,9-10H2
InChIKeyFJCHTACKGSXILE-UHFFFAOYSA-N
MW454.41 g/mol
LogP6.11
Rot. Bonds3

About piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol

piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol (PubChem CID 10321725) has the molecular formula C23H20F6N2O and a molecular weight of 454.41 g/mol. Its IUPAC name is piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol.

Molecular Properties

Compound Namepiperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
PubChem CID10321725
Molecular FormulaC23H20F6N2O
Molecular Weight454.41 g/mol
Exact Mass454.15
IUPAC Namepiperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
SMILESOC(c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C23H20F6N2O/c24-22(25,26)14-6-3-5-13(11-14)19-12-16(21(32)18-9-1-2-10-30-18)15-7-4-8-17(20(15)31-19)23(27,28)29/h3-8,11-12,18,21,30,32H,1-2,9-10H2
InChIKeyFJCHTACKGSXILE-UHFFFAOYSA-N
XLogP6.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(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
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
(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
[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 10047013
(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
CID 53298715
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
[(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methyl] N-tert-butylcarbamate
CID 102017544
5-[4-[(R)-hydroxy-[(2S)-piperidin-2-yl]methyl]quinolin-2-yl]-2-methylbenzonitrile;dihydrochloride
CID 155566383

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol?
The IUPAC name of piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol (CID 10321725) is piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol.
What is the SMILES notation for piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol?
The canonical SMILES for piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol is OC(c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)C1CCCCN1.
What is the InChIKey of piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol?
The InChIKey is FJCHTACKGSXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O/c24-22(25,26)14-6-3-5-13(11-14)19-12-16(21(32)18-9-1-2-10-30-18)15-7-4-8-17(20(15)31-19)23(27,28)29/h3-8,11-12,18,21,30,32H,1-2,9-10H2.
What are the key properties of piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol?
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol has a molecular weight of 454.41 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol is sourced from PubChem (CID 10321725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).