3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine

C23H26N6O — CID 11955547

IUPAC3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine
SMILESNCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C23H26N6O/c24-12-3-15-29-27-22(26-28-29)18-8-6-17(7-9-18)20-16-23(10-13-25-14-11-23)30-21-5-2-1-4-19(20)21/h1-2,4-9,16,25H,3,10-15,24H2
InChIKeyOTCKIOAPGAQKEP-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.64
Rot. Bonds5

About 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine

3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine (PubChem CID 11955547) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine
PubChem CID11955547
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine
SMILESNCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C23H26N6O/c24-12-3-15-29-27-22(26-28-29)18-8-6-17(7-9-18)20-16-23(10-13-25-14-11-23)30-21-5-2-1-4-19(20)21/h1-2,4-9,16,25H,3,10-15,24H2
InChIKeyOTCKIOAPGAQKEP-UHFFFAOYSA-N
XLogP2.64
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine (CID 11955547) is 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine is NCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1.
What is the InChIKey of 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine?
The InChIKey is OTCKIOAPGAQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c24-12-3-15-29-27-22(26-28-29)18-8-6-17(7-9-18)20-16-23(10-13-25-14-11-23)30-21-5-2-1-4-19(20)21/h1-2,4-9,16,25H,3,10-15,24H2.
What are the key properties of 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine?
3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine has a molecular weight of 402.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propan-1-amine is sourced from PubChem (CID 11955547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).