3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine

C12H24ClNO2 — CID 103183947

IUPAC3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
SMILESCOCCCOCCN1CCCC(CCl)C1
InChIInChI=1S/C12H24ClNO2/c1-15-7-3-8-16-9-6-14-5-2-4-12(10-13)11-14/h12H,2-11H2,1H3
InChIKeyFMKBZOBGBRFSNA-UHFFFAOYSA-N
MW249.78 g/mol
LogP1.99
Rot. Bonds8

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

3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine (PubChem CID 103183947) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
PubChem CID103183947
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
SMILESCOCCCOCCN1CCCC(CCl)C1
InChIInChI=1S/C12H24ClNO2/c1-15-7-3-8-16-9-6-14-5-2-4-12(10-13)11-14/h12H,2-11H2,1H3
InChIKeyFMKBZOBGBRFSNA-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
3-(chloromethyl)-1-(3-pyrrolidin-1-ylpropyl)piperidine
CID 63386793
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine?
The IUPAC name of 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine (CID 103183947) is 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine?
The canonical SMILES for 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine is COCCCOCCN1CCCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine?
The InChIKey is FMKBZOBGBRFSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-15-7-3-8-16-9-6-14-5-2-4-12(10-13)11-14/h12H,2-11H2,1H3.
What are the key properties of 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine?
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine has a molecular weight of 249.78 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine is sourced from PubChem (CID 103183947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).