5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]

C17H25NO2 — CID 10707563

IUPAC5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]
SMILESCCCN1CCCCC12COc1cccc(OC)c1C2
InChIInChI=1S/C17H25NO2/c1-3-10-18-11-5-4-9-17(18)12-14-15(19-2)7-6-8-16(14)20-13-17/h6-8H,3-5,9-13H2,1-2H3
InChIKeyMSRFBLVNXWXOKO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.26
Rot. Bonds3

About 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]

5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine] (PubChem CID 10707563) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine].

Molecular Properties

Compound Name5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]
PubChem CID10707563
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]
SMILESCCCN1CCCCC12COc1cccc(OC)c1C2
InChIInChI=1S/C17H25NO2/c1-3-10-18-11-5-4-9-17(18)12-14-15(19-2)7-6-8-16(14)20-13-17/h6-8H,3-5,9-13H2,1-2H3
InChIKeyMSRFBLVNXWXOKO-UHFFFAOYSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]?
The IUPAC name of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine] (CID 10707563) is 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine].
What is the SMILES notation for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]?
The canonical SMILES for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine] is CCCN1CCCCC12COc1cccc(OC)c1C2.
What is the InChIKey of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]?
The InChIKey is MSRFBLVNXWXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-10-18-11-5-4-9-17(18)12-14-15(19-2)7-6-8-16(14)20-13-17/h6-8H,3-5,9-13H2,1-2H3.
What are the key properties of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine]?
5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine] has a molecular weight of 275.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-piperidine] is sourced from PubChem (CID 10707563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).