2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C18H24ClN3O2 — CID 51104592

IUPAC2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-16-1-3-17(4-2-16)24-14-12-21-9-6-15(7-10-21)18-5-8-20-22(18)11-13-23/h1-5,8,15,23H,6-7,9-14H2
InChIKeyLYTLCHJBGBUDBD-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.79
Rot. Bonds7

About 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104592) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104592
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-16-1-3-17(4-2-16)24-14-12-21-9-6-15(7-10-21)18-5-8-20-22(18)11-13-23/h1-5,8,15,23H,6-7,9-14H2
InChIKeyLYTLCHJBGBUDBD-UHFFFAOYSA-N
XLogP2.79
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104592) is 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is LYTLCHJBGBUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-16-1-3-17(4-2-16)24-14-12-21-9-6-15(7-10-21)18-5-8-20-22(18)11-13-23/h1-5,8,15,23H,6-7,9-14H2.
What are the key properties of 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 349.86 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).