2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine

C12H14FN5 — CID 70316935

IUPAC2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine
SMILESFc1cccc(-n2nnc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H14FN5/c13-9-4-3-5-10(8-9)18-16-12(15-17-18)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2
InChIKeyBZMKRTSSMPNMLA-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.62
Rot. Bonds2

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

2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine (PubChem CID 70316935) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine
PubChem CID70316935
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine
SMILESFc1cccc(-n2nnc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H14FN5/c13-9-4-3-5-10(8-9)18-16-12(15-17-18)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2
InChIKeyBZMKRTSSMPNMLA-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine (CID 70316935) is 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine is Fc1cccc(-n2nnc(C3CCCCN3)n2)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine?
The InChIKey is BZMKRTSSMPNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c13-9-4-3-5-10(8-9)18-16-12(15-17-18)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2.
What are the key properties of 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine?
2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine has a molecular weight of 247.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 70316935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).