1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine

C15H22Cl2N2O — CID 82267120

IUPAC1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
SMILESCCCOc1c(Cl)cc(Cl)cc1CCN1CCNCC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-9-20-15-12(10-13(16)11-14(15)17)3-6-19-7-4-18-5-8-19/h10-11,18H,2-9H2,1H3
InChIKeyVKBAWWQLHHYGJA-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.23
Rot. Bonds6

About 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine

1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine (PubChem CID 82267120) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
PubChem CID82267120
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
SMILESCCCOc1c(Cl)cc(Cl)cc1CCN1CCNCC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-9-20-15-12(10-13(16)11-14(15)17)3-6-19-7-4-18-5-8-19/h10-11,18H,2-9H2,1H3
InChIKeyVKBAWWQLHHYGJA-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine (CID 82267120) is 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine is CCCOc1c(Cl)cc(Cl)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine?
The InChIKey is VKBAWWQLHHYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-9-20-15-12(10-13(16)11-14(15)17)3-6-19-7-4-18-5-8-19/h10-11,18H,2-9H2,1H3.
What are the key properties of 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine?
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine has a molecular weight of 317.26 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 82267120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).