2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine

C17H26N2O2 — CID 120753297

IUPAC2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCOc1ccccc1C1CNCCN1CC1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-20-17-5-3-2-4-15(17)16-12-18-8-9-19(16)13-14-6-10-21-11-7-14/h2-5,14,16,18H,6-13H2,1H3
InChIKeySREJSWDYLLGPES-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine

2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine (PubChem CID 120753297) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
PubChem CID120753297
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCOc1ccccc1C1CNCCN1CC1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-20-17-5-3-2-4-15(17)16-12-18-8-9-19(16)13-14-6-10-21-11-7-14/h2-5,14,16,18H,6-13H2,1H3
InChIKeySREJSWDYLLGPES-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)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

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
2-(2-methoxyphenyl)-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 120763133
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 120754001
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine (CID 120753297) is 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine is COc1ccccc1C1CNCCN1CC1CCOCC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is SREJSWDYLLGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-17-5-3-2-4-15(17)16-12-18-8-9-19(16)13-14-6-10-21-11-7-14/h2-5,14,16,18H,6-13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine?
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 120753297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).