(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H21ClN2O2 — CID 2747480

IUPAC(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)22-12-10-21(11-13-22)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyYSZGYCRARJCHEQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.18
Rot. Bonds5

About (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 2747480) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID2747480
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)22-12-10-21(11-13-22)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyYSZGYCRARJCHEQ-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 2747480) is (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is YSZGYCRARJCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)22-12-10-21(11-13-22)14-15-24-18-4-2-1-3-5-18/h1-9H,10-15H2.
What are the key properties of (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2747480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).