3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

C18H28Cl2N2O2 — CID 18456437

IUPAC3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCCC(CC)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-3-16(4-2)20-10-12-21(13-11-20)18(22)9-14-23-17-7-5-15(19)6-8-17;/h5-8,16H,3-4,9-14H2,1-2H3;1H
InChIKeyWSAMXOVFGUGSQC-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.86
Rot. Bonds7

About 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 18456437) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID18456437
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC Name3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCCC(CC)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-3-16(4-2)20-10-12-21(13-11-20)18(22)9-14-23-17-7-5-15(19)6-8-17;/h5-8,16H,3-4,9-14H2,1-2H3;1H
InChIKeyWSAMXOVFGUGSQC-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;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 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (CID 18456437) is 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is CCC(CC)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is WSAMXOVFGUGSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2.ClH/c1-3-16(4-2)20-10-12-21(13-11-20)18(22)9-14-23-17-7-5-15(19)6-8-17;/h5-8,16H,3-4,9-14H2,1-2H3;1H.
What are the key properties of 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 375.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 18456437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).