5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine

C17H27ClN2O — CID 64947479

IUPAC5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1cc(OC)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-6-12-10-19-16(17(2,3)4)11-20(12)15-9-13(21-5)7-8-14(15)18/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyBDJRBRJZVQFUMS-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.95
Rot. Bonds3

About 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine

5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine (PubChem CID 64947479) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
PubChem CID64947479
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1cc(OC)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-6-12-10-19-16(17(2,3)4)11-20(12)15-9-13(21-5)7-8-14(15)18/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyBDJRBRJZVQFUMS-UHFFFAOYSA-N
XLogP3.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine
CID 64954717
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine (CID 64947479) is 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1c1cc(OC)ccc1Cl.
What is the InChIKey of 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine?
The InChIKey is BDJRBRJZVQFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-6-12-10-19-16(17(2,3)4)11-20(12)15-9-13(21-5)7-8-14(15)18/h7-9,12,16,19H,6,10-11H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine?
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine has a molecular weight of 310.87 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine is sourced from PubChem (CID 64947479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).