2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol

C14H19N5O — CID 22487967

IUPAC2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H19N5O/c20-10-5-12-3-1-2-8-19(12)13-4-6-16-14(17-13)18-9-7-15-11-18/h4,6-7,9,11-12,20H,1-3,5,8,10H2
InChIKeyHWPTWBCJZNZWDI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 22487967) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID22487967
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C14H19N5O/c20-10-5-12-3-1-2-8-19(12)13-4-6-16-14(17-13)18-9-7-15-11-18/h4,6-7,9,11-12,20H,1-3,5,8,10H2
InChIKeyHWPTWBCJZNZWDI-UHFFFAOYSA-N
XLogP1.40
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 22487967) is 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1ccnc(-n2ccnc2)n1.
What is the InChIKey of 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is HWPTWBCJZNZWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c20-10-5-12-3-1-2-8-19(12)13-4-6-16-14(17-13)18-9-7-15-11-18/h4,6-7,9,11-12,20H,1-3,5,8,10H2.
What are the key properties of 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 22487967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).