1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine

C17H27N3O — CID 66202000

IUPAC1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
SMILESCc1ccc(C)c(OCCN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-15(2)17(11-14)21-10-9-19-5-7-20(8-6-19)16-12-18-13-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3
InChIKeyZQTPVDNYKDMFDB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.27
Rot. Bonds5

About 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine

1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine (PubChem CID 66202000) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
PubChem CID66202000
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
SMILESCc1ccc(C)c(OCCN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-15(2)17(11-14)21-10-9-19-5-7-20(8-6-19)16-12-18-13-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3
InChIKeyZQTPVDNYKDMFDB-UHFFFAOYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
(2R)-1-[2-(2,5-dimethylphenoxy)ethyl]-2-methylpiperazine
CID 82713741
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine (CID 66202000) is 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine is Cc1ccc(C)c(OCCN2CCN(C3CNC3)CC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine?
The InChIKey is ZQTPVDNYKDMFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-3-4-15(2)17(11-14)21-10-9-19-5-7-20(8-6-19)16-12-18-13-16/h3-4,11,16,18H,5-10,12-13H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine?
1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine has a molecular weight of 289.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine is sourced from PubChem (CID 66202000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).