1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

C19H22N6O — CID 1446548

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c26-19(17-7-4-10-20-13-17)8-11-24(12-9-19)15-18-21-22-23-25(18)14-16-5-2-1-3-6-16/h1-7,10,13,26H,8-9,11-12,14-15H2
InChIKeyLTWFBNRJPKVAEA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.60
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 1446548) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID1446548
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c26-19(17-7-4-10-20-13-17)8-11-24(12-9-19)15-18-21-22-23-25(18)14-16-5-2-1-3-6-16/h1-7,10,13,26H,8-9,11-12,14-15H2
InChIKeyLTWFBNRJPKVAEA-UHFFFAOYSA-N
XLogP1.60
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 1446548) is 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is LTWFBNRJPKVAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(17-7-4-10-20-13-17)8-11-24(12-9-19)15-18-21-22-23-25(18)14-16-5-2-1-3-6-16/h1-7,10,13,26H,8-9,11-12,14-15H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 350.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 1446548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).