4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]

C16H23NO4 — CID 82046856

IUPAC4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1OC)OC1(CCNCC1)CC2OC
InChIInChI=1S/C16H23NO4/c1-18-12-5-4-11-13(19-2)10-16(6-8-17-9-7-16)21-14(11)15(12)20-3/h4-5,13,17H,6-10H2,1-3H3
InChIKeyICXRRWQPOIQFSK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.30
Rot. Bonds3

About 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]

4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 82046856) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID82046856
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1OC)OC1(CCNCC1)CC2OC
InChIInChI=1S/C16H23NO4/c1-18-12-5-4-11-13(19-2)10-16(6-8-17-9-7-16)21-14(11)15(12)20-3/h4-5,13,17H,6-10H2,1-3H3
InChIKeyICXRRWQPOIQFSK-UHFFFAOYSA-N
XLogP2.30
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-dimethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046930
4-ethoxy-8-methylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046867
7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 82462055
2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 82462392
4-ethoxy-5,7-dimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046895
4-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046866
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462059
spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,4'-piperidine]-6-ol
CID 82045766
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 82046856) is 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] is COc1ccc2c(c1OC)OC1(CCNCC1)CC2OC.
What is the InChIKey of 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is ICXRRWQPOIQFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-18-12-5-4-11-13(19-2)10-16(6-8-17-9-7-16)21-14(11)15(12)20-3/h4-5,13,17H,6-10H2,1-3H3.
What are the key properties of 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 293.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethoxyspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 82046856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).