2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine

C17H28N2O — CID 82248507

IUPAC2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
SMILESCc1ccc(OCCCCN2CC(C)NCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-8-17(9-7-14)20-11-5-4-10-19-13-15(2)18-12-16(19)3/h6-9,15-16,18H,4-5,10-13H2,1-3H3
InChIKeyGDYHXHFYLOHGNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds6

About 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine

2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine (PubChem CID 82248507) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
PubChem CID82248507
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
SMILESCc1ccc(OCCCCN2CC(C)NCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-14-6-8-17(9-7-14)20-11-5-4-10-19-13-15(2)18-12-16(19)3/h6-9,15-16,18H,4-5,10-13H2,1-3H3
InChIKeyGDYHXHFYLOHGNK-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
CID 82248508
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
3-methyl-2-[3-(4-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline
CID 156649495
fluoromethane;3-methyl-2-[3-(4-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline
CID 156649494
1-[4-(4-methylphenoxy)butyl]-2H-1,3-diazete
CID 143535983
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine (CID 82248507) is 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine is Cc1ccc(OCCCCN2CC(C)NCC2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine?
The InChIKey is GDYHXHFYLOHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-8-17(9-7-14)20-11-5-4-10-19-13-15(2)18-12-16(19)3/h6-9,15-16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine?
2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine is sourced from PubChem (CID 82248507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).