2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol

C10H16ClN3O — CID 23064481

IUPAC2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol
SMILESOCCn1cnc(N2CCCCC2)c1Cl
InChIInChI=1S/C10H16ClN3O/c11-9-10(12-8-14(9)6-7-15)13-4-2-1-3-5-13/h8,15H,1-7H2
InChIKeyUCHLMSSDXVZCOW-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.52
Rot. Bonds3

About 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol

2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol (PubChem CID 23064481) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol
PubChem CID23064481
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol
SMILESOCCn1cnc(N2CCCCC2)c1Cl
InChIInChI=1S/C10H16ClN3O/c11-9-10(12-8-14(9)6-7-15)13-4-2-1-3-5-13/h8,15H,1-7H2
InChIKeyUCHLMSSDXVZCOW-UHFFFAOYSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol (CID 23064481) is 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol is OCCn1cnc(N2CCCCC2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol?
The InChIKey is UCHLMSSDXVZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c11-9-10(12-8-14(9)6-7-15)13-4-2-1-3-5-13/h8,15H,1-7H2.
What are the key properties of 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol?
2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-piperidin-1-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 23064481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).