2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol

C14H20F3N3O — CID 142770215

IUPAC2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol
SMILESCN1CCn2c(C(O)C(F)(F)F)ccc2C12CCNCC2
InChIInChI=1S/C14H20F3N3O/c1-19-8-9-20-10(12(21)14(15,16)17)2-3-11(20)13(19)4-6-18-7-5-13/h2-3,12,18,21H,4-9H2,1H3
InChIKeyKCBCMNDEXNAYMW-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.61
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol

2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol (PubChem CID 142770215) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol
PubChem CID142770215
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol
SMILESCN1CCn2c(C(O)C(F)(F)F)ccc2C12CCNCC2
InChIInChI=1S/C14H20F3N3O/c1-19-8-9-20-10(12(21)14(15,16)17)2-3-11(20)13(19)4-6-18-7-5-13/h2-3,12,18,21H,4-9H2,1H3
InChIKeyKCBCMNDEXNAYMW-UHFFFAOYSA-N
XLogP1.61
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol with MolForge

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Related Compounds

2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride
CID 118990134
7-methyl-3-(4-methylphenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];dihydrochloride
CID 155837313
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
1-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine
CID 171294498
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 121229524
1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281879
4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol
CID 160905848
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
CID 131475959
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
CID 53213553

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol (CID 142770215) is 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol is CN1CCn2c(C(O)C(F)(F)F)ccc2C12CCNCC2.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol?
The InChIKey is KCBCMNDEXNAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-19-8-9-20-10(12(21)14(15,16)17)2-3-11(20)13(19)4-6-18-7-5-13/h2-3,12,18,21H,4-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol?
2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol has a molecular weight of 303.33 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol is sourced from PubChem (CID 142770215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).