ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate

C11H20ClNO2 — CID 167238016

IUPACethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCCl)CC1
InChIInChI=1S/C11H20ClNO2/c1-2-15-11(14)9-10-3-6-13(7-4-10)8-5-12/h10H,2-9H2,1H3
InChIKeyCIGFOGRFDKTNGU-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate

ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate (PubChem CID 167238016) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
PubChem CID167238016
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCCl)CC1
InChIInChI=1S/C11H20ClNO2/c1-2-15-11(14)9-10-3-6-13(7-4-10)8-5-12/h10H,2-9H2,1H3
InChIKeyCIGFOGRFDKTNGU-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate (CID 167238016) is ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(CCCl)CC1.
What is the InChIKey of ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate?
The InChIKey is CIGFOGRFDKTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-15-11(14)9-10-3-6-13(7-4-10)8-5-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate?
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate has a molecular weight of 233.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 167238016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).