4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]

C20H19N5O — CID 11450815

IUPAC4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2
InChIInChI=1S/C20H19N5O/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19/h1-8,13,21H,9-12H2,(H,22,23,24,25)
InChIKeyYMUZFRXWRXLERK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.81
Rot. Bonds2

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

4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (PubChem CID 11450815) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
PubChem CID11450815
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2
InChIInChI=1S/C20H19N5O/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19/h1-8,13,21H,9-12H2,(H,22,23,24,25)
InChIKeyYMUZFRXWRXLERK-UHFFFAOYSA-N
XLogP2.81
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (CID 11450815) is 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].
What is the SMILES notation for 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The canonical SMILES for 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is C1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2.
What is the InChIKey of 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The InChIKey is YMUZFRXWRXLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19/h1-8,13,21H,9-12H2,(H,22,23,24,25).
What are the key properties of 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] has a molecular weight of 345.41 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 11450815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).