2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone

C8H15ClN2O2 — CID 178160134

IUPAC2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)CCl)C(CO)C1
InChIInChI=1S/C8H15ClN2O2/c1-10-2-3-11(8(13)4-9)7(5-10)6-12/h7,12H,2-6H2,1H3
InChIKeyIMHGBMLMNQUMJU-UHFFFAOYSA-N
MW206.67 g/mol
LogP-0.64
Rot. Bonds2

About 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone

2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 178160134) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
PubChem CID178160134
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)CCl)C(CO)C1
InChIInChI=1S/C8H15ClN2O2/c1-10-2-3-11(8(13)4-9)7(5-10)6-12/h7,12H,2-6H2,1H3
InChIKeyIMHGBMLMNQUMJU-UHFFFAOYSA-N
XLogP-0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone
CID 165442368
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
(4-aminophenyl)-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 141370484
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
2-(dimethylamino)-1-(2-ethyl-4-methylpiperazin-1-yl)ethanone
CID 143164517
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
CID 83817785
2-chloro-1-(2-methylaziridin-1-yl)ethanone
CID 21490095
2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile
CID 164904599
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
[4-(3-hydroxy-3-methylbutyl)phenyl]-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70729164
CID 58667028
CID 58667028

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone (CID 178160134) is 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone is CN1CCN(C(=O)CCl)C(CO)C1.
What is the InChIKey of 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is IMHGBMLMNQUMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-10-2-3-11(8(13)4-9)7(5-10)6-12/h7,12H,2-6H2,1H3.
What are the key properties of 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone?
2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 206.67 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 178160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).