1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol

C19H26N4O2 — CID 46967102

IUPAC1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccnn2C2CCCCO2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(16-4-3-9-20-14-16)7-11-22(12-8-19)15-17-6-10-21-23(17)18-5-1-2-13-25-18/h3-4,6,9-10,14,18,24H,1-2,5,7-8,11-13,15H2
InChIKeyJODRFLUQSVIMGR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.46
Rot. Bonds4

About 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 46967102) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID46967102
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccnn2C2CCCCO2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(16-4-3-9-20-14-16)7-11-22(12-8-19)15-17-6-10-21-23(17)18-5-1-2-13-25-18/h3-4,6,9-10,14,18,24H,1-2,5,7-8,11-13,15H2
InChIKeyJODRFLUQSVIMGR-UHFFFAOYSA-N
XLogP2.46
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 651160
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 86796662
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 46967102) is 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2ccnn2C2CCCCO2)CC1.
What is the InChIKey of 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is JODRFLUQSVIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(16-4-3-9-20-14-16)7-11-22(12-8-19)15-17-6-10-21-23(17)18-5-1-2-13-25-18/h3-4,6,9-10,14,18,24H,1-2,5,7-8,11-13,15H2.
What are the key properties of 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 342.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 46967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).