1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C21H25NO — CID 11141325

IUPAC1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2
InChIKeyHAULFEWWRJNEKX-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.09
Rot. Bonds3

About 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 11141325) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID11141325
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2
InChIKeyHAULFEWWRJNEKX-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 11141325) is 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1.
What is the InChIKey of 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is HAULFEWWRJNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-6-18(7-3-1)11-15-22-16-13-21(14-17-22)12-10-19-8-4-5-9-20(19)23-21/h1-9H,10-17H2.
What are the key properties of 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 307.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 11141325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).