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

C18H26N6O — CID 651160

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C18H26N6O/c25-18(15-5-4-10-19-13-15)8-11-23(12-9-18)14-17-20-21-22-24(17)16-6-2-1-3-7-16/h4-5,10,13,16,25H,1-3,6-9,11-12,14H2
InChIKeyBVIZOBHRLLOSKA-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.06
Rot. Bonds4

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

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 651160) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID651160
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C18H26N6O/c25-18(15-5-4-10-19-13-15)8-11-23(12-9-18)14-17-20-21-22-24(17)16-6-2-1-3-7-16/h4-5,10,13,16,25H,1-3,6-9,11-12,14H2
InChIKeyBVIZOBHRLLOSKA-UHFFFAOYSA-N
XLogP2.06
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 651160) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is BVIZOBHRLLOSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c25-18(15-5-4-10-19-13-15)8-11-23(12-9-18)14-17-20-21-22-24(17)16-6-2-1-3-7-16/h4-5,10,13,16,25H,1-3,6-9,11-12,14H2.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 342.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 651160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).