4-[3-(tetrazol-1-yl)phenoxy]piperidine

C12H15N5O — CID 45106460

IUPAC4-[3-(tetrazol-1-yl)phenoxy]piperidine
SMILESc1cc(OC2CCNCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-2-10(17-9-14-15-16-17)8-12(3-1)18-11-4-6-13-7-5-11/h1-3,8-9,11,13H,4-7H2
InChIKeyAYJWUFVHAQEFJE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.79
Rot. Bonds3

About 4-[3-(tetrazol-1-yl)phenoxy]piperidine

4-[3-(tetrazol-1-yl)phenoxy]piperidine (PubChem CID 45106460) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[3-(tetrazol-1-yl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[3-(tetrazol-1-yl)phenoxy]piperidine
PubChem CID45106460
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[3-(tetrazol-1-yl)phenoxy]piperidine
SMILESc1cc(OC2CCNCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-2-10(17-9-14-15-16-17)8-12(3-1)18-11-4-6-13-7-5-11/h1-3,8-9,11,13H,4-7H2
InChIKeyAYJWUFVHAQEFJE-UHFFFAOYSA-N
XLogP0.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(tetrazol-1-yl)phenoxy]piperidine?
The IUPAC name of 4-[3-(tetrazol-1-yl)phenoxy]piperidine (CID 45106460) is 4-[3-(tetrazol-1-yl)phenoxy]piperidine.
What is the SMILES notation for 4-[3-(tetrazol-1-yl)phenoxy]piperidine?
The canonical SMILES for 4-[3-(tetrazol-1-yl)phenoxy]piperidine is c1cc(OC2CCNCC2)cc(-n2cnnn2)c1.
What is the InChIKey of 4-[3-(tetrazol-1-yl)phenoxy]piperidine?
The InChIKey is AYJWUFVHAQEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-10(17-9-14-15-16-17)8-12(3-1)18-11-4-6-13-7-5-11/h1-3,8-9,11,13H,4-7H2.
What are the key properties of 4-[3-(tetrazol-1-yl)phenoxy]piperidine?
4-[3-(tetrazol-1-yl)phenoxy]piperidine has a molecular weight of 245.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tetrazol-1-yl)phenoxy]piperidine is sourced from PubChem (CID 45106460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).