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

C21H21N5O — CID 11394275

IUPAC4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C21H21N5O/c1-26-24-20(23-25-26)16-8-6-15(7-9-16)18-14-21(10-12-22-13-11-21)27-19-5-3-2-4-17(18)19/h2-9,14,22H,10-13H2,1H3
InChIKeyFBRLPBQHWBFEAI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.82
Rot. Bonds2

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

4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (PubChem CID 11394275) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
PubChem CID11394275
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C21H21N5O/c1-26-24-20(23-25-26)16-8-6-15(7-9-16)18-14-21(10-12-22-13-11-21)27-19-5-3-2-4-17(18)19/h2-9,14,22H,10-13H2,1H3
InChIKeyFBRLPBQHWBFEAI-UHFFFAOYSA-N
XLogP2.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The IUPAC name of 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (CID 11394275) is 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].
What is the SMILES notation for 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The canonical SMILES for 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is Cn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1.
What is the InChIKey of 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The InChIKey is FBRLPBQHWBFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-26-24-20(23-25-26)16-8-6-15(7-9-16)18-14-21(10-12-22-13-11-21)27-19-5-3-2-4-17(18)19/h2-9,14,22H,10-13H2,1H3.
What are the key properties of 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] has a molecular weight of 359.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 11394275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).