1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine

C18H28N2O2 — CID 120965786

IUPAC1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
SMILESCOCc1cccc(OCC2(CN3CCNCC3)CCC2)c1
InChIInChI=1S/C18H28N2O2/c1-21-13-16-4-2-5-17(12-16)22-15-18(6-3-7-18)14-20-10-8-19-9-11-20/h2,4-5,12,19H,3,6-11,13-15H2,1H3
InChIKeyZLFVVOXCWIDIQR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.29
Rot. Bonds7

About 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine

1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine (PubChem CID 120965786) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
PubChem CID120965786
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
SMILESCOCc1cccc(OCC2(CN3CCNCC3)CCC2)c1
InChIInChI=1S/C18H28N2O2/c1-21-13-16-4-2-5-17(12-16)22-15-18(6-3-7-18)14-20-10-8-19-9-11-20/h2,4-5,12,19H,3,6-11,13-15H2,1H3
InChIKeyZLFVVOXCWIDIQR-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
CID 120966660
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314
(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
CID 120967118
4-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-[(S)-methylsulfinyl]-1,2,4-triazole
CID 97063143
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
CID 120966267
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
3-cyclopropyl-4-ethyl-5-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methylsulfanyl]-1,2,4-triazole
CID 71905891
(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
CID 97067887
5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
CID 71905884
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine?
The IUPAC name of 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine (CID 120965786) is 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine?
The canonical SMILES for 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine is COCc1cccc(OCC2(CN3CCNCC3)CCC2)c1.
What is the InChIKey of 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine?
The InChIKey is ZLFVVOXCWIDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-13-16-4-2-5-17(12-16)22-15-18(6-3-7-18)14-20-10-8-19-9-11-20/h2,4-5,12,19H,3,6-11,13-15H2,1H3.
What are the key properties of 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine?
1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine is sourced from PubChem (CID 120965786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).