1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one

C15H20Cl2N2O — CID 17217206

IUPAC1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-9-7-18(8-10-19)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGAGMOTANCKWYDZ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one (PubChem CID 17217206) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
PubChem CID17217206
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-9-7-18(8-10-19)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGAGMOTANCKWYDZ-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325
1-(3,4-dichlorophenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea
CID 5224013
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 70738213
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
CID 91465258
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one (CID 17217206) is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is GAGMOTANCKWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-9-7-18(8-10-19)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one?
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 315.24 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 17217206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).