1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone

C19H21ClN2O2 — CID 752941

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyBENQTJJCTKHNLX-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone

1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone (PubChem CID 752941) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
PubChem CID752941
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyBENQTJJCTKHNLX-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone (CID 752941) is 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone?
The InChIKey is BENQTJJCTKHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone is sourced from PubChem (CID 752941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).