2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

C13H26ClNO3 — CID 113427471

IUPAC2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCCC1CCl
InChIInChI=1S/C13H26ClNO3/c1-16-8-9-18-11-10-17-7-6-15-5-3-2-4-13(15)12-14/h13H,2-12H2,1H3
InChIKeyDAJBSSVCTYGOCO-UHFFFAOYSA-N
MW279.81 g/mol
LogP1.76
Rot. Bonds10

About 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (PubChem CID 113427471) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
PubChem CID113427471
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Name2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCCC1CCl
InChIInChI=1S/C13H26ClNO3/c1-16-8-9-18-11-10-17-7-6-15-5-3-2-4-13(15)12-14/h13H,2-12H2,1H3
InChIKeyDAJBSSVCTYGOCO-UHFFFAOYSA-N
XLogP1.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine 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

2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
CID 83061887
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591756
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (CID 113427471) is 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is COCCOCCOCCN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The InChIKey is DAJBSSVCTYGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO3/c1-16-8-9-18-11-10-17-7-6-15-5-3-2-4-13(15)12-14/h13H,2-12H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine has a molecular weight of 279.81 g/mol, XLogP of 1.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 113427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).