4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

C19H27N3O2 — CID 155990857

IUPAC4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC(C)n1nccc1CN1CCC(O)(COc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-16(2)22-17(8-11-20-22)14-21-12-9-19(23,10-13-21)15-24-18-6-4-3-5-7-18/h3-8,11,16,23H,9-10,12-15H2,1-2H3
InChIKeyIVULGBUOIAFBGF-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds6

About 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 155990857) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID155990857
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC(C)n1nccc1CN1CCC(O)(COc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-16(2)22-17(8-11-20-22)14-21-12-9-19(23,10-13-21)15-24-18-6-4-3-5-7-18/h3-8,11,16,23H,9-10,12-15H2,1-2H3
InChIKeyIVULGBUOIAFBGF-UHFFFAOYSA-N
XLogP2.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 110146904
2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770127
4-[(2-methoxypyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132777297
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 155991910
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 132776861
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (CID 155990857) is 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is CC(C)n1nccc1CN1CCC(O)(COc2ccccc2)CC1.
What is the InChIKey of 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is IVULGBUOIAFBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16(2)22-17(8-11-20-22)14-21-12-9-19(23,10-13-21)15-24-18-6-4-3-5-7-18/h3-8,11,16,23H,9-10,12-15H2,1-2H3.
What are the key properties of 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 329.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 155990857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).