1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

C18H25NO — CID 15163164

IUPAC1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25NO/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16/h1-2,4,6,16H,3,5,7-14H2
InChIKeyVBTDSJLOXBTFBD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.15
Rot. Bonds2

About 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 15163164) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID15163164
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25NO/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16/h1-2,4,6,16H,3,5,7-14H2
InChIKeyVBTDSJLOXBTFBD-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 15163164) is 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is c1ccc2c(c1)CCC21CCN(CC2CCCO2)CC1.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is VBTDSJLOXBTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-6-17-15(4-1)7-8-18(17)9-11-19(12-10-18)14-16-5-3-13-20-16/h1-2,4,6,16H,3,5,7-14H2.
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 271.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 15163164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).