4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol

C18H20N6O — CID 167921420

IUPAC4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2cccc(-c3nn[nH]n3)n2)CC1
InChIInChI=1S/C18H20N6O/c25-18(14-5-2-1-3-6-14)9-11-24(12-10-18)13-15-7-4-8-16(19-15)17-20-22-23-21-17/h1-8,25H,9-13H2,(H,20,21,22,23)
InChIKeyQIOXXWKUAJUBAX-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.75
Rot. Bonds4

About 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol

4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol (PubChem CID 167921420) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol
PubChem CID167921420
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2cccc(-c3nn[nH]n3)n2)CC1
InChIInChI=1S/C18H20N6O/c25-18(14-5-2-1-3-6-14)9-11-24(12-10-18)13-15-7-4-8-16(19-15)17-20-22-23-21-17/h1-8,25H,9-13H2,(H,20,21,22,23)
InChIKeyQIOXXWKUAJUBAX-UHFFFAOYSA-N
XLogP1.75
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol (CID 167921420) is 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol is OC1(c2ccccc2)CCN(Cc2cccc(-c3nn[nH]n3)n2)CC1.
What is the InChIKey of 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is QIOXXWKUAJUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(14-5-2-1-3-6-14)9-11-24(12-10-18)13-15-7-4-8-16(19-15)17-20-22-23-21-17/h1-8,25H,9-13H2,(H,20,21,22,23).
What are the key properties of 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol?
4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 336.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 167921420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).