3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

C12H24ClNO3 — CID 104567095

IUPAC3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCC(Cl)C1
InChIInChI=1S/C12H24ClNO3/c1-15-7-8-17-10-9-16-6-5-14-4-2-3-12(13)11-14/h12H,2-11H2,1H3
InChIKeyGBKKHTVAVNWPPU-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.37
Rot. Bonds9

About 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (PubChem CID 104567095) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
PubChem CID104567095
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCC(Cl)C1
InChIInChI=1S/C12H24ClNO3/c1-15-7-8-17-10-9-16-6-5-14-4-2-3-12(13)11-14/h12H,2-11H2,1H3
InChIKeyGBKKHTVAVNWPPU-UHFFFAOYSA-N
XLogP1.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.37
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'}

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Related Compounds

3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64872115
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (CID 104567095) is 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is COCCOCCOCCN1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The InChIKey is GBKKHTVAVNWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3/c1-15-7-8-17-10-9-16-6-5-14-4-2-3-12(13)11-14/h12H,2-11H2,1H3.
What are the key properties of 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine has a molecular weight of 265.78 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 104567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).