1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine

C17H26F2N2O2 — CID 138741639

IUPAC1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1cc(F)c(N2CCN(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26F2N2O2/c1-17(2,3)21-7-5-20(6-8-21)16-14(18)11-13(12-15(16)19)23-10-9-22-4/h11-12H,5-10H2,1-4H3
InChIKeyLAZSIHJFYONEJS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.91
Rot. Bonds5

About 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine

1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine (PubChem CID 138741639) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
PubChem CID138741639
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1cc(F)c(N2CCN(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26F2N2O2/c1-17(2,3)21-7-5-20(6-8-21)16-14(18)11-13(12-15(16)19)23-10-9-22-4/h11-12H,5-10H2,1-4H3
InChIKeyLAZSIHJFYONEJS-UHFFFAOYSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine 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

2-[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenoxy]ethanol
CID 138741506
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;2,2,2-trifluoroacetic acid
CID 166758997
[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
CID 63077484
2-[4-(azonan-1-yl)-3,5-difluorophenoxy]-N,N-diethylethanamine
CID 166734159
tert-butyl 4-[2,6-difluoro-4-(2-methoxyethylamino)phenyl]piperazine-1-carboxylate
CID 140787571
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
CID 129149269
1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272560
tert-butyl 4-[2,6-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]piperazine-1-carboxylate
CID 118648230
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
3,5-difluoro-N-(2-methoxyethyl)-4-piperazin-1-ylaniline
CID 118648209
4-[4-(bromomethoxy)-2,6-difluorophenyl]piperazine-1-carboxylic acid
CID 118648293

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine (CID 138741639) is 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine is COCCOc1cc(F)c(N2CCN(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine?
The InChIKey is LAZSIHJFYONEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-17(2,3)21-7-5-20(6-8-21)16-14(18)11-13(12-15(16)19)23-10-9-22-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine?
1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine has a molecular weight of 328.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine is sourced from PubChem (CID 138741639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).