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

C18H28ClF3N4O — CID 69355686

IUPAC2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1.Cl
InChIInChI=1S/C18H27F3N4O.ClH/c1-13(2)24-7-3-14(4-8-24)26-15-5-9-25(10-6-15)17-12-22-16(11-23-17)18(19,20)21;/h11-15H,3-10H2,1-2H3;1H
InChIKeyPRKHVHYZMHTCCW-UHFFFAOYSA-N
MW408.90 g/mol
LogP3.78
Rot. Bonds4

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

2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride (PubChem CID 69355686) has the molecular formula C18H28ClF3N4O and a molecular weight of 408.90 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
PubChem CID69355686
Molecular FormulaC18H28ClF3N4O
Molecular Weight408.90 g/mol
Exact Mass408.19
IUPAC Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1.Cl
InChIInChI=1S/C18H27F3N4O.ClH/c1-13(2)24-7-3-14(4-8-24)26-15-5-9-25(10-6-15)17-12-22-16(11-23-17)18(19,20)21;/h11-15H,3-10H2,1-2H3;1H
InChIKeyPRKHVHYZMHTCCW-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,5S)-1-ethyl-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557404
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-Cyclobutyl-4-piperidinyl)oxy]-1-piperidinyl}-5-(trifluoromethyl)pyrazine hydrochloride
CID 69353961
(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 142966294
5-(difluoromethyl)-N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]pyrazin-2-amine;hydrochloride
CID 176181633
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181650
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181754
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-3-methyl-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181785
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]-6-(trifluoromethyl)pyrazin-2-amine
CID 176205673
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride (CID 69355686) is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The canonical SMILES for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride is CC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1.Cl.
What is the InChIKey of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The InChIKey is PRKHVHYZMHTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O.ClH/c1-13(2)24-7-3-14(4-8-24)26-15-5-9-25(10-6-15)17-12-22-16(11-23-17)18(19,20)21;/h11-15H,3-10H2,1-2H3;1H.
What are the key properties of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride?
2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride has a molecular weight of 408.90 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride is sourced from PubChem (CID 69355686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).