1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine

C12H24ClNO — CID 83061887

IUPAC1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
SMILESCCCC1CCCCN1CCOCCCl
InChIInChI=1S/C12H24ClNO/c1-2-5-12-6-3-4-8-14(12)9-11-15-10-7-13/h12H,2-11H2,1H3
InChIKeyJEIQTJJEEGXMGT-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds7

About 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine

1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine (PubChem CID 83061887) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
PubChem CID83061887
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
SMILESCCCC1CCCCN1CCOCCCl
InChIInChI=1S/C12H24ClNO/c1-2-5-12-6-3-4-8-14(12)9-11-15-10-7-13/h12H,2-11H2,1H3
InChIKeyJEIQTJJEEGXMGT-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine 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-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
1-pentyl-2-propylpiperidine
CID 54429991
1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine
CID 63665888
1-[2-(3-methylazetidin-3-yl)oxyethyl]-2-propylpiperidine
CID 102657033
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-but-3-ynyl-2-propylpiperidine
CID 83061576
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
1,2-bis(2-chloroethyl)piperidine;hydrochloride
CID 57362051
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine (CID 83061887) is 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine is CCCC1CCCCN1CCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine?
The InChIKey is JEIQTJJEEGXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-2-5-12-6-3-4-8-14(12)9-11-15-10-7-13/h12H,2-11H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine?
1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine is sourced from PubChem (CID 83061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).