2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C19H27N3O2 — CID 51104594

IUPAC2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1cccc(OCCN2CCC(c3ccnn3CCO)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-3-2-4-18(15-16)24-14-12-21-9-6-17(7-10-21)19-5-8-20-22(19)11-13-23/h2-5,8,15,17,23H,6-7,9-14H2,1H3
InChIKeyNRGLKTBQCVQKFX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.44
Rot. Bonds7

About 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104594) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104594
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1cccc(OCCN2CCC(c3ccnn3CCO)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-3-2-4-18(15-16)24-14-12-21-9-6-17(7-10-21)19-5-8-20-22(19)11-13-23/h2-5,8,15,17,23H,6-7,9-14H2,1H3
InChIKeyNRGLKTBQCVQKFX-UHFFFAOYSA-N
XLogP2.44
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-[2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104594) is 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is Cc1cccc(OCCN2CCC(c3ccnn3CCO)CC2)c1.
What is the InChIKey of 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is NRGLKTBQCVQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-3-2-4-18(15-16)24-14-12-21-9-6-17(7-10-21)19-5-8-20-22(19)11-13-23/h2-5,8,15,17,23H,6-7,9-14H2,1H3.
What are the key properties of 2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.44, 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-(3-methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).