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

C17H28N2O — CID 82248508

IUPAC2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
SMILESCc1ccccc1OCCCCN1CC(C)NCC1C
InChIInChI=1S/C17H28N2O/c1-14-8-4-5-9-17(14)20-11-7-6-10-19-13-15(2)18-12-16(19)3/h4-5,8-9,15-16,18H,6-7,10-13H2,1-3H3
InChIKeyHJIBMBSYYMCHSO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds6

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

2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine (PubChem CID 82248508) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
PubChem CID82248508
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
SMILESCc1ccccc1OCCCCN1CC(C)NCC1C
InChIInChI=1S/C17H28N2O/c1-14-8-4-5-9-17(14)20-11-7-6-10-19-13-15(2)18-12-16(19)3/h4-5,8-9,15-16,18H,6-7,10-13H2,1-3H3
InChIKeyHJIBMBSYYMCHSO-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-methyl-1-[4-(2-methylphenoxy)butyl]-1,4-diazepane
CID 82248528
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 124590512
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
3-methyl-5-[4-(2-methylphenoxy)butyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 19243546
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
1-methyl-2-pentadecoxybenzene
CID 154641785

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine (CID 82248508) is 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine is Cc1ccccc1OCCCCN1CC(C)NCC1C.
What is the InChIKey of 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine?
The InChIKey is HJIBMBSYYMCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-8-4-5-9-17(14)20-11-7-6-10-19-13-15(2)18-12-16(19)3/h4-5,8-9,15-16,18H,6-7,10-13H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine?
2,5-dimethyl-1-[4-(2-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-(2-methylphenoxy)butyl]piperazine is sourced from PubChem (CID 82248508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).