1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol

C12H19N3O — CID 103858117

IUPAC1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol
SMILESCc1cnc(N2CCC(C(C)O)CC2)nc1
InChIInChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15-5-3-11(4-6-15)10(2)16/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyHVBLQPAWSCLEDJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds2

About 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol

1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol (PubChem CID 103858117) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol
PubChem CID103858117
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol
SMILESCc1cnc(N2CCC(C(C)O)CC2)nc1
InChIInChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15-5-3-11(4-6-15)10(2)16/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyHVBLQPAWSCLEDJ-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol (CID 103858117) is 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol is Cc1cnc(N2CCC(C(C)O)CC2)nc1.
What is the InChIKey of 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol?
The InChIKey is HVBLQPAWSCLEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-13-12(14-8-9)15-5-3-11(4-6-15)10(2)16/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol?
1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103858117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).