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

C12H19N3O — CID 73439066

IUPAC2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol
SMILESCc1cncnc1C1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O/c1-10-8-13-9-14-12(10)11-2-4-15(5-3-11)6-7-16/h8-9,11,16H,2-7H2,1H3
InChIKeyLZHSVBGIBPYTQD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds3

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

2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol (PubChem CID 73439066) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol
PubChem CID73439066
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol
SMILESCc1cncnc1C1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O/c1-10-8-13-9-14-12(10)11-2-4-15(5-3-11)6-7-16/h8-9,11,16H,2-7H2,1H3
InChIKeyLZHSVBGIBPYTQD-UHFFFAOYSA-N
XLogP0.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol (CID 73439066) is 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol is Cc1cncnc1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol?
The InChIKey is LZHSVBGIBPYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-13-9-14-12(10)11-2-4-15(5-3-11)6-7-16/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol?
2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 73439066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).