4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]

C20H21NO2 — CID 25129432

IUPAC4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]
SMILESCOc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO2/c1-22-16-8-6-15(7-9-16)18-14-20(10-12-21-13-11-20)23-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyLJIDXOGVDUDHSV-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.64
Rot. Bonds2

About 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]

4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine] (PubChem CID 25129432) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]
PubChem CID25129432
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]
SMILESCOc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO2/c1-22-16-8-6-15(7-9-16)18-14-20(10-12-21-13-11-20)23-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyLJIDXOGVDUDHSV-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]?
The IUPAC name of 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine] (CID 25129432) is 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine].
What is the SMILES notation for 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]?
The canonical SMILES for 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine] is COc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]?
The InChIKey is LJIDXOGVDUDHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-16-8-6-15(7-9-16)18-14-20(10-12-21-13-11-20)23-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine]?
4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine] has a molecular weight of 307.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 25129432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).