2-(chloromethyl)-1-(2-methoxyethyl)piperidine

C9H18ClNO — CID 63386615

IUPAC2-(chloromethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCCC1CCl
InChIInChI=1S/C9H18ClNO/c1-12-7-6-11-5-3-2-4-9(11)8-10/h9H,2-8H2,1H3
InChIKeyNUPUHZDLUSHGIX-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds4

About 2-(chloromethyl)-1-(2-methoxyethyl)piperidine

2-(chloromethyl)-1-(2-methoxyethyl)piperidine (PubChem CID 63386615) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methoxyethyl)piperidine
PubChem CID63386615
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(chloromethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCCC1CCl
InChIInChI=1S/C9H18ClNO/c1-12-7-6-11-5-3-2-4-9(11)8-10/h9H,2-8H2,1H3
InChIKeyNUPUHZDLUSHGIX-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)piperidine (CID 63386615) is 2-(chloromethyl)-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(2-methoxyethyl)piperidine is COCCN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2-methoxyethyl)piperidine?
The InChIKey is NUPUHZDLUSHGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-12-7-6-11-5-3-2-4-9(11)8-10/h9H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-methoxyethyl)piperidine?
2-(chloromethyl)-1-(2-methoxyethyl)piperidine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 63386615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).