2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine

C19H18F6N2O — CID 23186940

IUPAC2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-8-12(9-14(10-13)19(23,24)25)11-28-16-5-3-7-27-17(16)15-4-1-2-6-26-15/h1-2,4,6,8-10,16-17,27H,3,5,7,11H2
InChIKeyWSXRMHMOTWLZSJ-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.13
Rot. Bonds4

About 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine

2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine (PubChem CID 23186940) has the molecular formula C19H18F6N2O and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine
PubChem CID23186940
Molecular FormulaC19H18F6N2O
Molecular Weight404.35 g/mol
Exact Mass404.13
IUPAC Name2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-8-12(9-14(10-13)19(23,24)25)11-28-16-5-3-7-27-17(16)15-4-1-2-6-26-15/h1-2,4,6,8-10,16-17,27H,3,5,7,11H2
InChIKeyWSXRMHMOTWLZSJ-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 44415947
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclopentanamine
CID 44415967
5-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 24785712
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
2-Cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 25176462
N-{[6-(Methoxymethyl)pyridin-2-yl]methyl}-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 53326307
2-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
6-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 58993629
N-Desmethyldoxylamine
CID 135338
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10789674

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine?
The IUPAC name of 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine (CID 23186940) is 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine is FC(F)(F)c1cc(COC2CCCNC2c2ccccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine?
The InChIKey is WSXRMHMOTWLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O/c20-18(21,22)13-8-12(9-14(10-13)19(23,24)25)11-28-16-5-3-7-27-17(16)15-4-1-2-6-26-15/h1-2,4,6,8-10,16-17,27H,3,5,7,11H2.
What are the key properties of 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine?
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine has a molecular weight of 404.35 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-2-yl]pyridine is sourced from PubChem (CID 23186940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).