1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one

C15H20Cl2N2O — CID 113080325

IUPAC1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-7-5-18(6-8-19)14-10-12(16)9-13(17)11-14/h9-11H,2-8H2,1H3
InChIKeyCGUXGEARZJWROQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one (PubChem CID 113080325) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
PubChem CID113080325
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-7-5-18(6-8-19)14-10-12(16)9-13(17)11-14/h9-11H,2-8H2,1H3
InChIKeyCGUXGEARZJWROQ-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-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one (CID 113080325) is 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is CGUXGEARZJWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-3-4-15(20)19-7-5-18(6-8-19)14-10-12(16)9-13(17)11-14/h9-11H,2-8H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one?
1-[4-(3,5-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-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 113080325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).