2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide

C14H21N3O2 — CID 36846949

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-15(2)14(19)11-16-7-9-17(10-8-16)12-5-3-4-6-13(12)18/h3-6,18H,7-11H2,1-2H3
InChIKeyCLYIPJZSSMIHIK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 36846949) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID36846949
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H21N3O2/c1-15(2)14(19)11-16-7-9-17(10-8-16)12-5-3-4-6-13(12)18/h3-6,18H,7-11H2,1-2H3
InChIKeyCLYIPJZSSMIHIK-UHFFFAOYSA-N
XLogP0.60
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide 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-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012625
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-[1-(2-chlorophenyl)piperidin-4-yl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 131936497
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134038263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 36846949) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is CLYIPJZSSMIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15(2)14(19)11-16-7-9-17(10-8-16)12-5-3-4-6-13(12)18/h3-6,18H,7-11H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 36846949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).