4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol

C17H29N3O — CID 71164958

IUPAC4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol
SMILESCc1cnc(N2CCC(C(C)C(C)CCO)CC2)nc1C
InChIInChI=1S/C17H29N3O/c1-12(7-10-21)14(3)16-5-8-20(9-6-16)17-18-11-13(2)15(4)19-17/h11-12,14,16,21H,5-10H2,1-4H3
InChIKeyADKLAUWIHRYAJT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.96
Rot. Bonds5

About 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol

4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol (PubChem CID 71164958) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol.

Molecular Properties

Compound Name4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol
PubChem CID71164958
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol
SMILESCc1cnc(N2CCC(C(C)C(C)CCO)CC2)nc1C
InChIInChI=1S/C17H29N3O/c1-12(7-10-21)14(3)16-5-8-20(9-6-16)17-18-11-13(2)15(4)19-17/h11-12,14,16,21H,5-10H2,1-4H3
InChIKeyADKLAUWIHRYAJT-UHFFFAOYSA-N
XLogP2.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-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 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol?
The IUPAC name of 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol (CID 71164958) is 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol.
What is the SMILES notation for 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol?
The canonical SMILES for 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol is Cc1cnc(N2CCC(C(C)C(C)CCO)CC2)nc1C.
What is the InChIKey of 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol?
The InChIKey is ADKLAUWIHRYAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(7-10-21)14(3)16-5-8-20(9-6-16)17-18-11-13(2)15(4)19-17/h11-12,14,16,21H,5-10H2,1-4H3.
What are the key properties of 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol?
4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylpentan-1-ol is sourced from PubChem (CID 71164958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).