2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine

C21H26F3N5O — CID 58430227

IUPAC2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine
SMILESFC(F)(F)c1ccc(N2CCC(COc3cnc(N4CCCCC4)cn3)CC2)nc1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-4-5-18(25-12-17)29-10-6-16(7-11-29)15-30-20-14-26-19(13-27-20)28-8-2-1-3-9-28/h4-5,12-14,16H,1-3,6-11,15H2
InChIKeyZSEUWTJCAORUBE-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.18
Rot. Bonds5

About 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine

2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine (PubChem CID 58430227) has the molecular formula C21H26F3N5O and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine
PubChem CID58430227
Molecular FormulaC21H26F3N5O
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC Name2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine
SMILESFC(F)(F)c1ccc(N2CCC(COc3cnc(N4CCCCC4)cn3)CC2)nc1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-4-5-18(25-12-17)29-10-6-16(7-11-29)15-30-20-14-26-19(13-27-20)28-8-2-1-3-9-28/h4-5,12-14,16H,1-3,6-11,15H2
InChIKeyZSEUWTJCAORUBE-UHFFFAOYSA-N
XLogP4.18
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine
CID 58547959
2-[1-(4-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine
CID 58548042
2-(Oxan-4-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)oxypyrazine
CID 58548101
4-Benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
CID 2810101
2-(3-Pyridin-4-ylpropoxy)-6-pyrrolidin-1-ylpyrazine
CID 172433216
4-[2-[3-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrazin-2-yl]oxyethyl]morpholine
CID 172434331
N-propan-2-yl-6-(3-pyridin-4-ylpropoxy)pyrazin-2-amine
CID 172434500
4-[2-[4-[3-(Pyridin-3-ylmethoxy)pyrazin-2-yl]piperazin-1-yl]ethyl]morpholine
CID 172434720
4-[2-[3-[4-[[4-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazin-2-yl]oxyethyl]morpholine
CID 172434751
2-(Pyridin-3-ylmethoxy)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazine
CID 172435564
2-(4-Ethylpiperazin-1-yl)-3-(pyridin-3-ylmethoxy)pyrazine
CID 172435831
2-(4-Benzylpiperazin-1-yl)-3-(pyridin-3-ylmethoxy)pyrazine
CID 172436646

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine (CID 58430227) is 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine is FC(F)(F)c1ccc(N2CCC(COc3cnc(N4CCCCC4)cn3)CC2)nc1.
What is the InChIKey of 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine?
The InChIKey is ZSEUWTJCAORUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O/c22-21(23,24)17-4-5-18(25-12-17)29-10-6-16(7-11-29)15-30-20-14-26-19(13-27-20)28-8-2-1-3-9-28/h4-5,12-14,16H,1-3,6-11,15H2.
What are the key properties of 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine?
2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine has a molecular weight of 421.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 58430227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).