1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine

C16H25N3O — CID 66203150

IUPAC1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCc1ccc(OCCN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-14-2-4-16(5-3-14)20-11-10-18-6-8-19(9-7-18)15-12-17-13-15/h2-5,15,17H,6-13H2,1H3
InChIKeyYJEUVLXUOMIURI-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.96
Rot. Bonds5

About 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine

1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine (PubChem CID 66203150) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
PubChem CID66203150
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
SMILESCc1ccc(OCCN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-14-2-4-16(5-3-14)20-11-10-18-6-8-19(9-7-18)15-12-17-13-15/h2-5,15,17H,6-13H2,1H3
InChIKeyYJEUVLXUOMIURI-UHFFFAOYSA-N
XLogP0.96
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
CID 66202000
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 61441389
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 19085451
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine (CID 66203150) is 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine is Cc1ccc(OCCN2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine?
The InChIKey is YJEUVLXUOMIURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-2-4-16(5-3-14)20-11-10-18-6-8-19(9-7-18)15-12-17-13-15/h2-5,15,17H,6-13H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine?
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 0.96, 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-(4-methylphenoxy)ethyl]piperazine is sourced from PubChem (CID 66203150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).