4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]

C15H23NO — CID 143559720

IUPAC4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]
SMILESCCC1CC2(CCNCC2)OC2=C1C=CCC2
InChIInChI=1S/C15H23NO/c1-2-12-11-15(7-9-16-10-8-15)17-14-6-4-3-5-13(12)14/h3,5,12,16H,2,4,6-11H2,1H3
InChIKeyKEDAFIFHISCJMI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds1

About 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]

4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine] (PubChem CID 143559720) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]
PubChem CID143559720
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]
SMILESCCC1CC2(CCNCC2)OC2=C1C=CCC2
InChIInChI=1S/C15H23NO/c1-2-12-11-15(7-9-16-10-8-15)17-14-6-4-3-5-13(12)14/h3,5,12,16H,2,4,6-11H2,1H3
InChIKeyKEDAFIFHISCJMI-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]?
The IUPAC name of 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine] (CID 143559720) is 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine].
What is the SMILES notation for 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]?
The canonical SMILES for 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine] is CCC1CC2(CCNCC2)OC2=C1C=CCC2.
What is the InChIKey of 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]?
The InChIKey is KEDAFIFHISCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-12-11-15(7-9-16-10-8-15)17-14-6-4-3-5-13(12)14/h3,5,12,16H,2,4,6-11H2,1H3.
What are the key properties of 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]?
4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine] has a molecular weight of 233.35 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine] is sourced from PubChem (CID 143559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).