1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol

C19H32N4O2 — CID 136533447

IUPAC1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCc1cc(N2CCC(O)C(C)C2)nc(C(C)N2CCC(O)C(C)C2)n1
InChIInChI=1S/C19H32N4O2/c1-12-10-22(7-5-16(12)24)15(4)19-20-14(3)9-18(21-19)23-8-6-17(25)13(2)11-23/h9,12-13,15-17,24-25H,5-8,10-11H2,1-4H3
InChIKeyUECGNLQLLHDVLS-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol

1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol (PubChem CID 136533447) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
PubChem CID136533447
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCc1cc(N2CCC(O)C(C)C2)nc(C(C)N2CCC(O)C(C)C2)n1
InChIInChI=1S/C19H32N4O2/c1-12-10-22(7-5-16(12)24)15(4)19-20-14(3)9-18(21-19)23-8-6-17(25)13(2)11-23/h9,12-13,15-17,24-25H,5-8,10-11H2,1-4H3
InChIKeyUECGNLQLLHDVLS-UHFFFAOYSA-N
XLogP1.76
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-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-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol (CID 136533447) is 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol is Cc1cc(N2CCC(O)C(C)C2)nc(C(C)N2CCC(O)C(C)C2)n1.
What is the InChIKey of 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
The InChIKey is UECGNLQLLHDVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-12-10-22(7-5-16(12)24)15(4)19-20-14(3)9-18(21-19)23-8-6-17(25)13(2)11-23/h9,12-13,15-17,24-25H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol?
1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol has a molecular weight of 348.49 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-hydroxy-3-methylpiperidin-1-yl)ethyl]-6-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 136533447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).