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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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 11794060
2-[5-[4-(4-Methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
CID 162416237
Tert-butyl 4-[4-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 57882026
Tert-butyl 4-[4-[2-[4-[(2,2,2-trifluoroacetyl)amino]butyl]tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 57882180
[4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]-1'-yl] 2,2,2-trifluoroacetate
CID 69290478
4-[[2,6-Difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine
CID 91317066
Tert-butyl 4-[4-[2-[[2-(2,2,2-trifluoroacetyl)hydrazinyl]methyl]tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 143304476
4-[2-[4-(2-Methyltetrazol-5-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 150627220
1-[2-[5-[4-(4-Methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine
CID 4986049
N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 139008650
4-[4-(2-Methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 11394275
4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 11450815

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).