[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C15H18Cl2N2O2 — CID 113080191

IUPAC[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-3-4-13(12(17)10-11)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h3-4,10,14H,1-2,5-9H2
InChIKeyOFALBXWULTUTRB-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.82
Rot. Bonds2

About [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 113080191) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID113080191
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-3-4-13(12(17)10-11)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h3-4,10,14H,1-2,5-9H2
InChIKeyOFALBXWULTUTRB-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55605876
3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 4827545
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 113080191) is [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is OFALBXWULTUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-3-4-13(12(17)10-11)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h3-4,10,14H,1-2,5-9H2.
What are the key properties of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 329.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 113080191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).