4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide

C16H25N3O2 — CID 111434293

IUPAC4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-17(2)16(21)15-5-3-14(4-6-15)13-19-9-7-18(8-10-19)11-12-20/h3-6,20H,7-13H2,1-2H3
InChIKeyGJRKBBOCWCZYBW-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.50
Rot. Bonds5

About 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide

4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 111434293) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID111434293
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-17(2)16(21)15-5-3-14(4-6-15)13-19-9-7-18(8-10-19)11-12-20/h3-6,20H,7-13H2,1-2H3
InChIKeyGJRKBBOCWCZYBW-UHFFFAOYSA-N
XLogP0.50
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30668935
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111411916
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[(4-butylpiperazin-1-yl)methyl]benzoic acid
CID 20795311
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119652718
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide (CID 111434293) is 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is GJRKBBOCWCZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17(2)16(21)15-5-3-14(4-6-15)13-19-9-7-18(8-10-19)11-12-20/h3-6,20H,7-13H2,1-2H3.
What are the key properties of 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide?
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111434293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).