2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride

C10H19ClN2O2 — CID 39255531

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)N1CCN(CCO)CC1
InChIInChI=1S/C10H19ClN2O2/c1-10(2,9(11)15)13-5-3-12(4-6-13)7-8-14/h14H,3-8H2,1-2H3
InChIKeyLIXGWVMPIFEDSD-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride (PubChem CID 39255531) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride
PubChem CID39255531
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)N1CCN(CCO)CC1
InChIInChI=1S/C10H19ClN2O2/c1-10(2,9(11)15)13-5-3-12(4-6-13)7-8-14/h14H,3-8H2,1-2H3
InChIKeyLIXGWVMPIFEDSD-UHFFFAOYSA-N
XLogP0.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride 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

1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
2-[7-(carboxymethyl)-4-(2,2-dimethylpropyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 155224329
2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107214071
2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine
CID 159950827
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride (CID 39255531) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride is CC(C)(C(=O)Cl)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride?
The InChIKey is LIXGWVMPIFEDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-10(2,9(11)15)13-5-3-12(4-6-13)7-8-14/h14H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride has a molecular weight of 234.73 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride is sourced from PubChem (CID 39255531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).