2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol

C21H28N2O2 — CID 91774740

IUPAC2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(CN3CCN(CCO)CC3)cc2)cc1C
InChIInChI=1S/C21H28N2O2/c1-17-3-6-21(15-18(17)2)25-20-7-4-19(5-8-20)16-23-11-9-22(10-12-23)13-14-24/h3-8,15,24H,9-14,16H2,1-2H3
InChIKeyWQCRZNDSKDYKRT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.21
Rot. Bonds6

About 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 91774740) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID91774740
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(CN3CCN(CCO)CC3)cc2)cc1C
InChIInChI=1S/C21H28N2O2/c1-17-3-6-21(15-18(17)2)25-20-7-4-19(5-8-20)16-23-11-9-22(10-12-23)13-14-24/h3-8,15,24H,9-14,16H2,1-2H3
InChIKeyWQCRZNDSKDYKRT-UHFFFAOYSA-N
XLogP3.21
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]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

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
N-[(3,4-dimethylphenoxy)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108879128
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 30630017
1-[2-(3,4-dimethylphenoxy)ethoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 18590108
2-[4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanol
CID 82214318
2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
CID 15413989
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol (CID 91774740) is 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol is Cc1ccc(Oc2ccc(CN3CCN(CCO)CC3)cc2)cc1C.
What is the InChIKey of 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is WQCRZNDSKDYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-3-6-21(15-18(17)2)25-20-7-4-19(5-8-20)16-23-11-9-22(10-12-23)13-14-24/h3-8,15,24H,9-14,16H2,1-2H3.
What are the key properties of 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 340.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 91774740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).