1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine

C19H32N2O2 — CID 2270536

IUPAC1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2O2/c1-19(2,3)17-5-7-18(8-6-17)23-16-15-22-14-13-21-11-9-20(4)10-12-21/h5-8H,9-16H2,1-4H3
InChIKeyKFMIMVJEGMOSRG-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.63
Rot. Bonds7

About 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine

1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine (PubChem CID 2270536) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
PubChem CID2270536
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H32N2O2/c1-19(2,3)17-5-7-18(8-6-17)23-16-15-22-14-13-21-11-9-20(4)10-12-21/h5-8H,9-16H2,1-4H3
InChIKeyKFMIMVJEGMOSRG-UHFFFAOYSA-N
XLogP2.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 16807101
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine (CID 2270536) is 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOCCOc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The InChIKey is KFMIMVJEGMOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-19(2,3)17-5-7-18(8-6-17)23-16-15-22-14-13-21-11-9-20(4)10-12-21/h5-8H,9-16H2,1-4H3.
What are the key properties of 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine has a molecular weight of 320.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 2270536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).