1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine

C21H28N2O — CID 11278783

IUPAC1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
SMILESCc1cccc(C)c1OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-18-7-6-8-19(2)21(18)24-16-15-22-11-13-23(14-12-22)17-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3
InChIKeyLAVNIRVWQCJCII-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.50
Rot. Bonds6

About 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine

1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine (PubChem CID 11278783) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
PubChem CID11278783
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
SMILESCc1cccc(C)c1OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-18-7-6-8-19(2)21(18)24-16-15-22-11-13-23(14-12-22)17-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3
InChIKeyLAVNIRVWQCJCII-UHFFFAOYSA-N
XLogP3.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(4-benzylpiperazin-1-yl)-1-[2-(2,6-dimethylphenoxy)ethoxy]ethanol
CID 34886896
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-(2,6-dimethylphenoxy)ethoxy]propan-2-ol
CID 7150300
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(2,6-dimethylphenoxy)ethoxy]propan-2-ol
CID 7150298
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-phenylmethanimine
CID 23468688
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 90105371
3,6-dichloro-4-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]pyridazine
CID 15984725
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine (CID 11278783) is 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine is Cc1cccc(C)c1OCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine?
The InChIKey is LAVNIRVWQCJCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-18-7-6-8-19(2)21(18)24-16-15-22-11-13-23(14-12-22)17-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3.
What are the key properties of 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine?
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine is sourced from PubChem (CID 11278783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).