4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C20H25N3O3 — CID 16673100

IUPAC4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCC(C)c1ncc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)19-21-10-15(11-22-19)12-23-7-5-20(24,6-8-23)16-3-4-17-18(9-16)26-13-25-17/h3-4,9-11,14,24H,5-8,12-13H2,1-2H3
InChIKeyOVDLPWKMLQELHE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.81
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 16673100) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID16673100
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCC(C)c1ncc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)19-21-10-15(11-22-19)12-23-7-5-20(24,6-8-23)16-3-4-17-18(9-16)26-13-25-17/h3-4,9-11,14,24H,5-8,12-13H2,1-2H3
InChIKeyOVDLPWKMLQELHE-UHFFFAOYSA-N
XLogP2.81
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 16674054
4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356
4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 16673266
4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 46954921
4-(1,3-benzodioxol-5-yl)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-4-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672202
N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 25292202
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one
CID 152712630
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861
4-(1,3-benzodioxol-5-yl)-1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]piperidin-4-ol
CID 150677346
4-[1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]-2-hydroxyethyl]piperidine-1-carboxylic acid
CID 69378241
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 16673100) is 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol is CC(C)c1ncc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is OVDLPWKMLQELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)19-21-10-15(11-22-19)12-23-7-5-20(24,6-8-23)16-3-4-17-18(9-16)26-13-25-17/h3-4,9-11,14,24H,5-8,12-13H2,1-2H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 355.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16673100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).