1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol

C10H14ClN3O — CID 42544325

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(Cl)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)6-10(13-7)14-4-2-8(15)3-5-14/h6,8,15H,2-5H2,1H3
InChIKeyRHOOAXSEXGGPIG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.40
Rot. Bonds1

About 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol

1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 42544325) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol
PubChem CID42544325
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(Cl)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)6-10(13-7)14-4-2-8(15)3-5-14/h6,8,15H,2-5H2,1H3
InChIKeyRHOOAXSEXGGPIG-UHFFFAOYSA-N
XLogP1.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol (CID 42544325) is 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol is Cc1nc(Cl)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is RHOOAXSEXGGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-12-9(11)6-10(13-7)14-4-2-8(15)3-5-14/h6,8,15H,2-5H2,1H3.
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol?
1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 227.69 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 42544325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).