1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol

C16H17N3O3 — CID 77088330

IUPAC1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C16H17N3O3/c20-12-2-1-7-19(9-12)15-5-6-17-16(18-15)11-3-4-13-14(8-11)22-10-21-13/h3-6,8,12,20H,1-2,7,9-10H2
InChIKeyWOMOGWIDJMTCCR-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.83
Rot. Bonds2

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

1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 77088330) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID77088330
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C16H17N3O3/c20-12-2-1-7-19(9-12)15-5-6-17-16(18-15)11-3-4-13-14(8-11)22-10-21-13/h3-6,8,12,20H,1-2,7,9-10H2
InChIKeyWOMOGWIDJMTCCR-UHFFFAOYSA-N
XLogP1.83
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99930102
(3S)-1-[2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]piperidin-3-ol
CID 95205893
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99928309
1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770770
2-(1,3-benzodioxol-5-yl)-4-imidazol-1-ylpyrimidine
CID 3234102
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74239468
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069932
1-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)piperidin-3-ol
CID 106541340
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol
CID 99933862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol (CID 77088330) is 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol is OC1CCCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)C1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is WOMOGWIDJMTCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-12-2-1-7-19(9-12)15-5-6-17-16(18-15)11-3-4-13-14(8-11)22-10-21-13/h3-6,8,12,20H,1-2,7,9-10H2.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol?
1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 299.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 77088330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).