2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone

C18H19ClN2O — CID 1477078

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C18H19ClN2O/c19-16-6-8-17(9-7-16)21-12-10-20(11-13-21)14-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyMOQFBZUWTRBALG-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.34
Rot. Bonds4

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone (PubChem CID 1477078) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone
PubChem CID1477078
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C18H19ClN2O/c19-16-6-8-17(9-7-16)21-12-10-20(11-13-21)14-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyMOQFBZUWTRBALG-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone (CID 1477078) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone?
The InChIKey is MOQFBZUWTRBALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-6-8-17(9-7-16)21-12-10-20(11-13-21)14-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone?
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone has a molecular weight of 314.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanone is sourced from PubChem (CID 1477078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).