2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

C12H18ClN3O — CID 63736281

IUPAC2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1c(Cl)ncnc1N1CCCCC1CCO
InChIInChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3
InChIKeyBUIKXNAZFAVBRH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds3

About 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 63736281) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID63736281
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1c(Cl)ncnc1N1CCCCC1CCO
InChIInChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3
InChIKeyBUIKXNAZFAVBRH-UHFFFAOYSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 63736281) is 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is Cc1c(Cl)ncnc1N1CCCCC1CCO.
What is the InChIKey of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is BUIKXNAZFAVBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-3-2-4-10(16)5-7-17/h8,10,17H,2-7H2,1H3.
What are the key properties of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 63736281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).