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

C11H16ClN3O — CID 103761496

IUPAC2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3O/c12-11-13-5-3-10(14-11)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2
InChIKeyVESMILNJIVLRNM-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.73
Rot. Bonds3

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

2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 103761496) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID103761496
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3O/c12-11-13-5-3-10(14-11)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2
InChIKeyVESMILNJIVLRNM-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (CID 103761496) is 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is OCCC1CCCN(c2ccnc(Cl)n2)C1.
What is the InChIKey of 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is VESMILNJIVLRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-13-5-3-10(14-11)15-6-1-2-9(8-15)4-7-16/h3,5,9,16H,1-2,4,6-8H2.
What are the key properties of 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 241.72 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 103761496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).