2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine

C12H13F2N5 — CID 70316790

IUPAC2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine
SMILESFc1cc(F)cc(-n2nnc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H13F2N5/c13-8-5-9(14)7-10(6-8)19-17-12(16-18-19)11-3-1-2-4-15-11/h5-7,11,15H,1-4H2
InChIKeyULUQOJASXOASBS-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.76
Rot. Bonds2

About 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine

2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine (PubChem CID 70316790) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine
PubChem CID70316790
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine
SMILESFc1cc(F)cc(-n2nnc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H13F2N5/c13-8-5-9(14)7-10(6-8)19-17-12(16-18-19)11-3-1-2-4-15-11/h5-7,11,15H,1-4H2
InChIKeyULUQOJASXOASBS-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine (CID 70316790) is 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine is Fc1cc(F)cc(-n2nnc(C3CCCCN3)n2)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine?
The InChIKey is ULUQOJASXOASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c13-8-5-9(14)7-10(6-8)19-17-12(16-18-19)11-3-1-2-4-15-11/h5-7,11,15H,1-4H2.
What are the key properties of 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine?
2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine has a molecular weight of 265.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 70316790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).