4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]

C17H25NO4 — CID 82046895

IUPAC4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCOC1CC2(CCNCC2)Oc2cc(OC)cc(OC)c21
InChIInChI=1S/C17H25NO4/c1-4-21-15-11-17(5-7-18-8-6-17)22-14-10-12(19-2)9-13(20-3)16(14)15/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeyRDMBQUHWHICZTL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.69
Rot. Bonds4

About 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]

4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 82046895) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID82046895
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCCOC1CC2(CCNCC2)Oc2cc(OC)cc(OC)c21
InChIInChI=1S/C17H25NO4/c1-4-21-15-11-17(5-7-18-8-6-17)22-14-10-12(19-2)9-13(20-3)16(14)15/h9-10,15,18H,4-8,11H2,1-3H3
InChIKeyRDMBQUHWHICZTL-UHFFFAOYSA-N
XLogP2.69
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046866
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
CID 82047282
1-ethoxy-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 131660291
4-ethoxy-8-methylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046867
6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047218
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
3'-ethoxy-7-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825100

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 82046895) is 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] is CCOC1CC2(CCNCC2)Oc2cc(OC)cc(OC)c21.
What is the InChIKey of 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is RDMBQUHWHICZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-21-15-11-17(5-7-18-8-6-17)22-14-10-12(19-2)9-13(20-3)16(14)15/h9-10,15,18H,4-8,11H2,1-3H3.
What are the key properties of 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 307.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 82046895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).