(4-chlorophenyl)-piperazin-1-ylmethanone

C11H13ClN2O — CID 4101484

IUPAC(4-chlorophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKeyIHSZLKAMJQHQOS-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.39
Rot. Bonds1

About (4-chlorophenyl)-piperazin-1-ylmethanone

(4-chlorophenyl)-piperazin-1-ylmethanone (PubChem CID 4101484) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chlorophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-piperazin-1-ylmethanone
PubChem CID4101484
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4-chlorophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKeyIHSZLKAMJQHQOS-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-chlorophenyl)-piperazin-1-ylmethanone (CID 4101484) is (4-chlorophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-piperazin-1-ylmethanone is O=C(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of (4-chlorophenyl)-piperazin-1-ylmethanone?
The InChIKey is IHSZLKAMJQHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2.
What are the key properties of (4-chlorophenyl)-piperazin-1-ylmethanone?
(4-chlorophenyl)-piperazin-1-ylmethanone has a molecular weight of 224.69 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 4101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).