2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine

C22H24N6O — CID 11955546

IUPAC2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
SMILESNCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C22H24N6O/c23-11-14-28-26-21(25-27-28)17-7-5-16(6-8-17)19-15-22(9-12-24-13-10-22)29-20-4-2-1-3-18(19)20/h1-8,15,24H,9-14,23H2
InChIKeyKREQYWKKNAPHRI-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.25
Rot. Bonds4

About 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine

2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine (PubChem CID 11955546) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
PubChem CID11955546
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
SMILESNCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C22H24N6O/c23-11-14-28-26-21(25-27-28)17-7-5-16(6-8-17)19-15-22(9-12-24-13-10-22)29-20-4-2-1-3-18(19)20/h1-8,15,24H,9-14,23H2
InChIKeyKREQYWKKNAPHRI-UHFFFAOYSA-N
XLogP2.25
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine (CID 11955546) is 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine is NCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1.
What is the InChIKey of 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine?
The InChIKey is KREQYWKKNAPHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-11-14-28-26-21(25-27-28)17-7-5-16(6-8-17)19-15-22(9-12-24-13-10-22)29-20-4-2-1-3-18(19)20/h1-8,15,24H,9-14,23H2.
What are the key properties of 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine?
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine has a molecular weight of 388.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine is sourced from PubChem (CID 11955546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).