6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine

C18H20FN5 — CID 95851986

IUPAC6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine
SMILESC[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C18H20FN5/c1-13-4-2-3-9-23(13)11-16-10-15(12-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h5-8,10,12-13H,2-4,9,11H2,1H3/t13-/m1/s1
InChIKeyBHLAEYKCMVHKLF-CYBMUJFWSA-N
MW325.39 g/mol
LogP3.30
Rot. Bonds3

About 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine

6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine (PubChem CID 95851986) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine
PubChem CID95851986
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine
SMILESC[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)cn2nnnc12
InChIInChI=1S/C18H20FN5/c1-13-4-2-3-9-23(13)11-16-10-15(12-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h5-8,10,12-13H,2-4,9,11H2,1H3/t13-/m1/s1
InChIKeyBHLAEYKCMVHKLF-CYBMUJFWSA-N
XLogP3.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine (CID 95851986) is 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine is C[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)cn2nnnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine?
The InChIKey is BHLAEYKCMVHKLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN5/c1-13-4-2-3-9-23(13)11-16-10-15(12-24-18(16)20-21-22-24)14-5-7-17(19)8-6-14/h5-8,10,12-13H,2-4,9,11H2,1H3/t13-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine?
6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine has a molecular weight of 325.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine is sourced from PubChem (CID 95851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).