1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol

C22H28N6O — CID 653265

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C22H28N6O/c29-19-10-13-27(14-11-19)21(17-8-9-20-16(15-17)5-4-12-23-20)22-24-25-26-28(22)18-6-2-1-3-7-18/h4-5,8-9,12,15,18-19,21,29H,1-3,6-7,10-11,13-14H2
InChIKeyZVBSOIFLNCLOQY-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.27
Rot. Bonds4

About 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol

1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol (PubChem CID 653265) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol
PubChem CID653265
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C22H28N6O/c29-19-10-13-27(14-11-19)21(17-8-9-20-16(15-17)5-4-12-23-20)22-24-25-26-28(22)18-6-2-1-3-7-18/h4-5,8-9,12,15,18-19,21,29H,1-3,6-7,10-11,13-14H2
InChIKeyZVBSOIFLNCLOQY-UHFFFAOYSA-N
XLogP3.27
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol (CID 653265) is 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol is OC1CCN(C(c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol?
The InChIKey is ZVBSOIFLNCLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c29-19-10-13-27(14-11-19)21(17-8-9-20-16(15-17)5-4-12-23-20)22-24-25-26-28(22)18-6-2-1-3-7-18/h4-5,8-9,12,15,18-19,21,29H,1-3,6-7,10-11,13-14H2.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol?
1-[(1-cyclohexyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-4-ol has a molecular weight of 392.51 g/mol, XLogP of 3.27, 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)-quinolin-6-ylmethyl]piperidin-4-ol is sourced from PubChem (CID 653265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).