4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine

C15H19NO2 — CID 117365382

IUPAC4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine
SMILESc1cc2c(cc1C1CCNCC1)OC1(CCC1)O2
InChIInChI=1S/C15H19NO2/c1-6-15(7-1)17-13-3-2-12(10-14(13)18-15)11-4-8-16-9-5-11/h2-3,10-11,16H,1,4-9H2
InChIKeyGVMQXSPMAMPDHO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.81
Rot. Bonds1

About 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine

4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine (PubChem CID 117365382) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine.

Molecular Properties

Compound Name4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine
PubChem CID117365382
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine
SMILESc1cc2c(cc1C1CCNCC1)OC1(CCC1)O2
InChIInChI=1S/C15H19NO2/c1-6-15(7-1)17-13-3-2-12(10-14(13)18-15)11-4-8-16-9-5-11/h2-3,10-11,16H,1,4-9H2
InChIKeyGVMQXSPMAMPDHO-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine?
The IUPAC name of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine (CID 117365382) is 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine.
What is the SMILES notation for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine?
The canonical SMILES for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine is c1cc2c(cc1C1CCNCC1)OC1(CCC1)O2.
What is the InChIKey of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine?
The InChIKey is GVMQXSPMAMPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-6-15(7-1)17-13-3-2-12(10-14(13)18-15)11-4-8-16-9-5-11/h2-3,10-11,16H,1,4-9H2.
What are the key properties of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine?
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine has a molecular weight of 245.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylpiperidine is sourced from PubChem (CID 117365382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).