1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]

C16H27F2N3O — CID 162790525

IUPAC1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]
SMILESCN1CC2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2
InChIInChI=1S/C16H27F2N3O/c1-19-8-14-9-22-7-6-21(14)15(10-19)11-20(12-15)13-2-4-16(17,18)5-3-13/h13-14H,2-12H2,1H3
InChIKeyJTKHOBRHDFXFNC-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.26
Rot. Bonds1

About 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]

1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] (PubChem CID 162790525) has the molecular formula C16H27F2N3O and a molecular weight of 315.41 g/mol. Its IUPAC name is 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine].

Molecular Properties

Compound Name1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]
PubChem CID162790525
Molecular FormulaC16H27F2N3O
Molecular Weight315.41 g/mol
Exact Mass315.21
IUPAC Name1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]
SMILESCN1CC2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2
InChIInChI=1S/C16H27F2N3O/c1-19-8-14-9-22-7-6-21(14)15(10-19)11-20(12-15)13-2-4-16(17,18)5-3-13/h13-14H,2-12H2,1H3
InChIKeyJTKHOBRHDFXFNC-UHFFFAOYSA-N
XLogP1.26
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] with MolForge

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Related Compounds

1-[4-(8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)piperidin-1-yl]ethanone
CID 162809623
2-methoxy-1-(1'-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)ethanone
CID 162790792
lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
CID 153330669
2-methoxy-1-[1'-(oxetan-3-yl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790450
(1'-cyclobutylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-phenylmethanone
CID 163022736
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
CID 126539817
cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone
CID 162790561
3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
CID 122608330
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
1-(1'-hexylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-2-methylpropan-1-one
CID 162790424

Frequently Asked Questions

What is the IUPAC name of 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]?
The IUPAC name of 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] (CID 162790525) is 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine].
What is the SMILES notation for 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]?
The canonical SMILES for 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] is CN1CC2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2.
What is the InChIKey of 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]?
The InChIKey is JTKHOBRHDFXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O/c1-19-8-14-9-22-7-6-21(14)15(10-19)11-20(12-15)13-2-4-16(17,18)5-3-13/h13-14H,2-12H2,1H3.
What are the key properties of 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]?
1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] has a molecular weight of 315.41 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,4-difluorocyclohexyl)-8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine] is sourced from PubChem (CID 162790525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).