tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate

C17H22FN5O2 — CID 23014441

IUPACtert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN5O2/c1-17(2,3)25-16(24)22-10-8-12(9-11-22)15-19-20-21-23(15)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyUEWUFCWDLJOEBB-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate (PubChem CID 23014441) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate
PubChem CID23014441
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Nametert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN5O2/c1-17(2,3)25-16(24)22-10-8-12(9-11-22)15-19-20-21-23(15)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyUEWUFCWDLJOEBB-UHFFFAOYSA-N
XLogP2.92
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate (CID 23014441) is tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is UEWUFCWDLJOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-17(2,3)25-16(24)22-10-8-12(9-11-22)15-19-20-21-23(15)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-fluorophenyl)tetrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 23014441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).