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

C13H26ClNO3 — CID 104567099

IUPAC3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCC(CCl)C1
InChIInChI=1S/C13H26ClNO3/c1-16-7-8-18-10-9-17-6-5-15-4-2-3-13(11-14)12-15/h13H,2-12H2,1H3
InChIKeyHAISOGRVGWZMQH-UHFFFAOYSA-N
MW279.81 g/mol
LogP1.62
Rot. Bonds10

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

3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (PubChem CID 104567099) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
PubChem CID104567099
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Name3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCCC(CCl)C1
InChIInChI=1S/C13H26ClNO3/c1-16-7-8-18-10-9-17-6-5-15-4-2-3-13(11-14)12-15/h13H,2-12H2,1H3
InChIKeyHAISOGRVGWZMQH-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
3-(chloromethyl)-1-(3-pyrrolidin-1-ylpropyl)piperidine
CID 63386793
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (CID 104567099) is 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is COCCOCCOCCN1CCCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The InChIKey is HAISOGRVGWZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO3/c1-16-7-8-18-10-9-17-6-5-15-4-2-3-13(11-14)12-15/h13H,2-12H2,1H3.
What are the key properties of 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine has a molecular weight of 279.81 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 104567099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).