[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C19H20N6O2 — CID 56750532

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccccc3-c3nn[nH]n3)CC2)nc1
InChIInChI=1S/C19H20N6O2/c1-13-6-7-16(20-12-13)19(27)8-10-25(11-9-19)18(26)15-5-3-2-4-14(15)17-21-23-24-22-17/h2-7,12,27H,8-11H2,1H3,(H,21,22,23,24)
InChIKeyVFXMZBHFNRRXKK-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.69
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 56750532) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID56750532
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccccc3-c3nn[nH]n3)CC2)nc1
InChIInChI=1S/C19H20N6O2/c1-13-6-7-16(20-12-13)19(27)8-10-25(11-9-19)18(26)15-5-3-2-4-14(15)17-21-23-24-22-17/h2-7,12,27H,8-11H2,1H3,(H,21,22,23,24)
InChIKeyVFXMZBHFNRRXKK-UHFFFAOYSA-N
XLogP1.69
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 56750532) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccccc3-c3nn[nH]n3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is VFXMZBHFNRRXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-6-7-16(20-12-13)19(27)8-10-25(11-9-19)18(26)15-5-3-2-4-14(15)17-21-23-24-22-17/h2-7,12,27H,8-11H2,1H3,(H,21,22,23,24).
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56750532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).