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

C20H21NO — CID 25129090

IUPAC4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]
SMILESCc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO/c1-15-6-8-16(9-7-15)18-14-20(10-12-21-13-11-20)22-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyYDXKUUFNKUXOBE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.94
Rot. Bonds1

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

4-(4-methylphenyl)spiro[chromene-2,4'-piperidine] (PubChem CID 25129090) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]
PubChem CID25129090
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]
SMILESCc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO/c1-15-6-8-16(9-7-15)18-14-20(10-12-21-13-11-20)22-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyYDXKUUFNKUXOBE-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]?
The IUPAC name of 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine] (CID 25129090) is 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine].
What is the SMILES notation for 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]?
The canonical SMILES for 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine] is Cc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]?
The InChIKey is YDXKUUFNKUXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15-6-8-16(9-7-15)18-14-20(10-12-21-13-11-20)22-19-5-3-2-4-17(18)19/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]?
4-(4-methylphenyl)spiro[chromene-2,4'-piperidine] has a molecular weight of 291.39 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 25129090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).