2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride

C19H28ClF3N4O — CID 69353961

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-12-24-18(13-23-17)26-10-6-16(7-11-26)27-15-4-8-25(9-5-15)14-2-1-3-14;/h12-16H,1-11H2;1H
InChIKeyUBEMYQSQAZIVLV-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride

2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride (PubChem CID 69353961) has the molecular formula C19H28ClF3N4O and a molecular weight of 420.91 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
PubChem CID69353961
Molecular FormulaC19H28ClF3N4O
Molecular Weight420.91 g/mol
Exact Mass420.19
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-12-24-18(13-23-17)26-10-6-16(7-11-26)27-15-4-8-25(9-5-15)14-2-1-3-14;/h12-16H,1-11H2;1H
InChIKeyUBEMYQSQAZIVLV-UHFFFAOYSA-N
XLogP3.92
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747946
2-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747986
2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
CID 69355686
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205672
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205701
N-[[(2S,3R,6S)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205736
N-[[(2S,3R,6S)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205825
4-Methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166342246
2-[3-(4-Methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine
CID 166357290
2-(4-Methoxypiperidin-1-yl)-6-methylpyrazine
CID 174629631
5-(4-Ethoxypiperidin-1-yl)pyrazine-2-carbonitrile
CID 64271717
(2R*,6S*)-4-[1-(3,6-dimethyl-2-pyrazinyl)-4-piperidinyl]-2,6-dimethylmorpholine
CID 70727565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride (CID 69353961) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride is Cl.FC(F)(F)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The InChIKey is UBEMYQSQAZIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-12-24-18(13-23-17)26-10-6-16(7-11-26)27-15-4-8-25(9-5-15)14-2-1-3-14;/h12-16H,1-11H2;1H.
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride has a molecular weight of 420.91 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride is sourced from PubChem (CID 69353961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).