1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

C18H26N2O — CID 23467197

IUPAC1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESCN1CCC2(CC1)OC(c1ccccc1)C1CCCCN12
InChIInChI=1S/C18H26N2O/c1-19-13-10-18(11-14-19)20-12-6-5-9-16(20)17(21-18)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyXFHQYXRJUICKLQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.03
Rot. Bonds1

About 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (PubChem CID 23467197) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
PubChem CID23467197
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESCN1CCC2(CC1)OC(c1ccccc1)C1CCCCN12
InChIInChI=1S/C18H26N2O/c1-19-13-10-18(11-14-19)20-12-6-5-9-16(20)17(21-18)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyXFHQYXRJUICKLQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The IUPAC name of 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (CID 23467197) is 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].
What is the SMILES notation for 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The canonical SMILES for 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is CN1CCC2(CC1)OC(c1ccccc1)C1CCCCN12.
What is the InChIKey of 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The InChIKey is XFHQYXRJUICKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-13-10-18(11-14-19)20-12-6-5-9-16(20)17(21-18)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3.
What are the key properties of 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] has a molecular weight of 286.42 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is sourced from PubChem (CID 23467197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).