methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate

C10H16ClNO3 — CID 28748566

IUPACmethyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H16ClNO3/c1-15-10(14)6-8-2-4-12(5-3-8)9(13)7-11/h8H,2-7H2,1H3
InChIKeyLIUGELAGIDNBPP-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.03
Rot. Bonds3

About methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate

methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate (PubChem CID 28748566) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
PubChem CID28748566
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H16ClNO3/c1-15-10(14)6-8-2-4-12(5-3-8)9(13)7-11/h8H,2-7H2,1H3
InChIKeyLIUGELAGIDNBPP-UHFFFAOYSA-N
XLogP1.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate 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

methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-[1-(C-chloro-N-ethylcarbonimidoyl)piperidin-4-yl]acetate
CID 58553189
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
methyl 2-[1-[methylidene(propyl)-λ4-sulfanyl]piperidin-4-yl]acetate
CID 58553185
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-chloro-1-(4-prop-2-enylpiperidin-1-yl)ethanone
CID 176921496

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate (CID 28748566) is methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)CCl)CC1.
What is the InChIKey of methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate?
The InChIKey is LIUGELAGIDNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-15-10(14)6-8-2-4-12(5-3-8)9(13)7-11/h8H,2-7H2,1H3.
What are the key properties of methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate?
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate has a molecular weight of 233.69 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate is sourced from PubChem (CID 28748566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).