(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride

C19H24ClN3O2 — CID 24761156

IUPAC(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-24-18-7-5-16(6-8-18)19(23)22-14-12-21(13-15-22)11-9-17-4-2-3-10-20-17;/h2-8,10H,9,11-15H2,1H3;1H
InChIKeyIJLNBVBBSIUJLY-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.51
Rot. Bonds5

About (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride

(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 24761156) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID24761156
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-24-18-7-5-16(6-8-18)19(23)22-14-12-21(13-15-22)11-9-17-4-2-3-10-20-17;/h2-8,10H,9,11-15H2,1H3;1H
InChIKeyIJLNBVBBSIUJLY-UHFFFAOYSA-N
XLogP2.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride 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 (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride (CID 24761156) is (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride is COc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is IJLNBVBBSIUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-24-18-7-5-16(6-8-18)19(23)22-14-12-21(13-15-22)11-9-17-4-2-3-10-20-17;/h2-8,10H,9,11-15H2,1H3;1H.
What are the key properties of (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride?
(4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24761156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).