4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one

C16H23ClN2O2 — CID 83933257

IUPAC4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(Cl)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C16H23ClN2O2/c1-2-21-15-7-6-14(17)12-13(15)4-3-5-16(20)19-10-8-18-9-11-19/h6-7,12,18H,2-5,8-11H2,1H3
InChIKeyJMPGUYVBVNRONL-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.49
Rot. Bonds6

About 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one

4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83933257) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83933257
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCOc1ccc(Cl)cc1CCCC(=O)N1CCNCC1
InChIInChI=1S/C16H23ClN2O2/c1-2-21-15-7-6-14(17)12-13(15)4-3-5-16(20)19-10-8-18-9-11-19/h6-7,12,18H,2-5,8-11H2,1H3
InChIKeyJMPGUYVBVNRONL-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
4-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83931484
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83952625
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835879
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one (CID 83933257) is 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one is CCOc1ccc(Cl)cc1CCCC(=O)N1CCNCC1.
What is the InChIKey of 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is JMPGUYVBVNRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-21-15-7-6-14(17)12-13(15)4-3-5-16(20)19-10-8-18-9-11-19/h6-7,12,18H,2-5,8-11H2,1H3.
What are the key properties of 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one?
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 310.83 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83933257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).