1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine

C19H32N2O — CID 2216167

IUPAC1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
SMILESCCN1CCN(CCCCOc2cc(C)cc(C)c2C)CC1
InChIInChI=1S/C19H32N2O/c1-5-20-9-11-21(12-10-20)8-6-7-13-22-19-15-16(2)14-17(3)18(19)4/h14-15H,5-13H2,1-4H3
InChIKeyVMDVTNXBPCLYSH-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.41
Rot. Bonds7

About 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine

1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine (PubChem CID 2216167) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
PubChem CID2216167
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
SMILESCCN1CCN(CCCCOc2cc(C)cc(C)c2C)CC1
InChIInChI=1S/C19H32N2O/c1-5-20-9-11-21(12-10-20)8-6-7-13-22-19-15-16(2)14-17(3)18(19)4/h14-15H,5-13H2,1-4H3
InChIKeyVMDVTNXBPCLYSH-UHFFFAOYSA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2057820
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2181589
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine;oxalic acid
CID 2934212
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine
CID 2216579
1-[4-(2,3,5-trimethylphenoxy)butyl]pyrrolidin-1-ium
CID 2057664
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine?
The IUPAC name of 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine (CID 2216167) is 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine is CCN1CCN(CCCCOc2cc(C)cc(C)c2C)CC1.
What is the InChIKey of 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine?
The InChIKey is VMDVTNXBPCLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-20-9-11-21(12-10-20)8-6-7-13-22-19-15-16(2)14-17(3)18(19)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine?
1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine has a molecular weight of 304.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine is sourced from PubChem (CID 2216167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).