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

C15H24N2O — CID 65460395

IUPAC2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCc1ccc(OCCN2CCNCC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-13-4-6-14(7-5-13)18-11-10-17-9-8-16-12-15(17,2)3/h4-7,16H,8-12H2,1-3H3
InChIKeyZPZLGMSHDLYLDN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds4

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

2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine (PubChem CID 65460395) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
PubChem CID65460395
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCc1ccc(OCCN2CCNCC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-13-4-6-14(7-5-13)18-11-10-17-9-8-16-12-15(17,2)3/h4-7,16H,8-12H2,1-3H3
InChIKeyZPZLGMSHDLYLDN-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
CID 65461570
2,2-diethyl-1-(2-phenoxyethyl)piperazine
CID 64846196
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
CID 64844633
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 106864175
1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
CID 82308187
2,2,5,5-tetramethyl-1-(2-phenoxyethyl)piperazine
CID 64837993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine (CID 65460395) is 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine is Cc1ccc(OCCN2CCNCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine?
The InChIKey is ZPZLGMSHDLYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-4-6-14(7-5-13)18-11-10-17-9-8-16-12-15(17,2)3/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine?
2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine is sourced from PubChem (CID 65460395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).