2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol

C25H36N2O3 — CID 20544975

IUPAC2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(CCc2ccccc2OCCCCN2CCN(CCO)CC2)c1
InChIInChI=1S/C25H36N2O3/c1-29-24-9-6-7-22(21-24)11-12-23-8-2-3-10-25(23)30-20-5-4-13-26-14-16-27(17-15-26)18-19-28/h2-3,6-10,21,28H,4-5,11-20H2,1H3
InChIKeyKIWIAZTVBSWIDF-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.25
Rot. Bonds12

About 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol

2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol (PubChem CID 20544975) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
PubChem CID20544975
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(CCc2ccccc2OCCCCN2CCN(CCO)CC2)c1
InChIInChI=1S/C25H36N2O3/c1-29-24-9-6-7-22(21-24)11-12-23-8-2-3-10-25(23)30-20-5-4-13-26-14-16-27(17-15-26)18-19-28/h2-3,6-10,21,28H,4-5,11-20H2,1H3
InChIKeyKIWIAZTVBSWIDF-UHFFFAOYSA-N
XLogP3.25
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol 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

6,7-dimethoxy-2-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]-3,4-dihydro-1H-isoquinoline
CID 25156686
2-[4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 25157256
1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
CID 25156130
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
2-hydroxybenzoic acid;3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 134285054
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
ethyl (2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10524872
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl methanesulfonate
CID 87800970
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol (CID 20544975) is 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol is COc1cccc(CCc2ccccc2OCCCCN2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol?
The InChIKey is KIWIAZTVBSWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-29-24-9-6-7-22(21-24)11-12-23-8-2-3-10-25(23)30-20-5-4-13-26-14-16-27(17-15-26)18-19-28/h2-3,6-10,21,28H,4-5,11-20H2,1H3.
What are the key properties of 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol?
2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol has a molecular weight of 412.57 g/mol, XLogP of 3.25, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 20544975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).