1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol

C9H11Cl2N3O — CID 130569673

IUPAC1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyFMHUATRTCKSPAM-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.74
Rot. Bonds1

About 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol

1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol (PubChem CID 130569673) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
PubChem CID130569673
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyFMHUATRTCKSPAM-UHFFFAOYSA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichloropyrimidin-4-yl)piperidin-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-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol (CID 130569673) is 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2cc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is FMHUATRTCKSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2.
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 248.11 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 130569673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).