2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine

C16H26N2O — CID 64845908

IUPAC2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine
SMILESCCC1(C)CNC(C)CN1CCOc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-16(3)13-17-14(2)12-18(16)10-11-19-15-8-6-5-7-9-15/h5-9,14,17H,4,10-13H2,1-3H3
InChIKeyNSVVMXYBKVLTCL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds5

About 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine

2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine (PubChem CID 64845908) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine
PubChem CID64845908
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine
SMILESCCC1(C)CNC(C)CN1CCOc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-16(3)13-17-14(2)12-18(16)10-11-19-15-8-6-5-7-9-15/h5-9,14,17H,4,10-13H2,1-3H3
InChIKeyNSVVMXYBKVLTCL-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845316
2,2-diethyl-1-(2-phenoxyethyl)piperazine
CID 64846196
2,2,5,5-tetramethyl-1-(2-phenoxyethyl)piperazine
CID 64837993
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
2-ethyl-1,2,5-trimethylpiperazine
CID 64844336
2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 64846709
1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 64843043
1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64846903
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64878048

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine?
The IUPAC name of 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine (CID 64845908) is 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine?
The canonical SMILES for 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine is CCC1(C)CNC(C)CN1CCOc1ccccc1.
What is the InChIKey of 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine?
The InChIKey is NSVVMXYBKVLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(3)13-17-14(2)12-18(16)10-11-19-15-8-6-5-7-9-15/h5-9,14,17H,4,10-13H2,1-3H3.
What are the key properties of 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine?
2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 64845908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).