2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol

C11H18N4O — CID 107229189

IUPAC2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
SMILESNc1ccnc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C11H18N4O/c12-10-3-5-13-11(14-10)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2,(H2,12,13,14)
InChIKeyVUIHRLRGFXHIPJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds3

About 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol

2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol (PubChem CID 107229189) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
PubChem CID107229189
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
SMILESNc1ccnc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C11H18N4O/c12-10-3-5-13-11(14-10)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2,(H2,12,13,14)
InChIKeyVUIHRLRGFXHIPJ-UHFFFAOYSA-N
XLogP0.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol (CID 107229189) is 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol is Nc1ccnc(N2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is VUIHRLRGFXHIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-3-5-13-11(14-10)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2,(H2,12,13,14).
What are the key properties of 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol?
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).