7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]

C21H23NO2 — CID 18770964

IUPAC7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1)OC1(C=C2c2ccccc2)CCN(C)CC1
InChIInChI=1S/C21H23NO2/c1-22-12-10-21(11-13-22)15-19(16-6-4-3-5-7-16)18-9-8-17(23-2)14-20(18)24-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyUJVQBHSTRXGOFY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.98
Rot. Bonds2

About 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]

7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine] (PubChem CID 18770964) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
PubChem CID18770964
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1)OC1(C=C2c2ccccc2)CCN(C)CC1
InChIInChI=1S/C21H23NO2/c1-22-12-10-21(11-13-22)15-19(16-6-4-3-5-7-16)18-9-8-17(23-2)14-20(18)24-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyUJVQBHSTRXGOFY-UHFFFAOYSA-N
XLogP3.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]?
The IUPAC name of 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine] (CID 18770964) is 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine] is COc1ccc2c(c1)OC1(C=C2c2ccccc2)CCN(C)CC1.
What is the InChIKey of 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]?
The InChIKey is UJVQBHSTRXGOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22-12-10-21(11-13-22)15-19(16-6-4-3-5-7-16)18-9-8-17(23-2)14-20(18)24-21/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]?
7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine] has a molecular weight of 321.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 18770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).