1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol

C11H17N3O — CID 112709137

IUPAC1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
SMILESCC1CC(O)(c2ccncn2)CCN1C
InChIInChI=1S/C11H17N3O/c1-9-7-11(15,4-6-14(9)2)10-3-5-12-8-13-10/h3,5,8-9,15H,4,6-7H2,1-2H3
InChIKeyOJXVVPSCWUTMRT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds1

About 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol

1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol (PubChem CID 112709137) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
PubChem CID112709137
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
SMILESCC1CC(O)(c2ccncn2)CCN1C
InChIInChI=1S/C11H17N3O/c1-9-7-11(15,4-6-14(9)2)10-3-5-12-8-13-10/h3,5,8-9,15H,4,6-7H2,1-2H3
InChIKeyOJXVVPSCWUTMRT-UHFFFAOYSA-N
XLogP0.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol?
The IUPAC name of 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol (CID 112709137) is 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol.
What is the SMILES notation for 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol?
The canonical SMILES for 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol is CC1CC(O)(c2ccncn2)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol?
The InChIKey is OJXVVPSCWUTMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-11(15,4-6-14(9)2)10-3-5-12-8-13-10/h3,5,8-9,15H,4,6-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol?
1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol has a molecular weight of 207.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol is sourced from PubChem (CID 112709137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).