2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone

C15H18Cl2N2O — CID 156907244

IUPAC2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C15H18Cl2N2O/c16-11-14(20)18-6-8-19(9-7-18)15(4-5-15)12-2-1-3-13(17)10-12/h1-3,10H,4-9,11H2
InChIKeyYDDPBPJVBZUEOJ-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone

2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone (PubChem CID 156907244) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone
PubChem CID156907244
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C15H18Cl2N2O/c16-11-14(20)18-6-8-19(9-7-18)15(4-5-15)12-2-1-3-13(17)10-12/h1-3,10H,4-9,11H2
InChIKeyYDDPBPJVBZUEOJ-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone (CID 156907244) is 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone is O=C(CCl)N1CCN(C2(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone?
The InChIKey is YDDPBPJVBZUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-11-14(20)18-6-8-19(9-7-18)15(4-5-15)12-2-1-3-13(17)10-12/h1-3,10H,4-9,11H2.
What are the key properties of 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone?
2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone has a molecular weight of 313.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[1-(3-chlorophenyl)cyclopropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 156907244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).