1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine

C12H24ClNO — CID 63666893

IUPAC1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine
SMILESCCC1(C)CCN(CCOCCCl)CC1
InChIInChI=1S/C12H24ClNO/c1-3-12(2)4-7-14(8-5-12)9-11-15-10-6-13/h3-11H2,1-2H3
InChIKeyUBXJNWCMVHICIQ-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine

1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine (PubChem CID 63666893) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine
PubChem CID63666893
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine
SMILESCCC1(C)CCN(CCOCCCl)CC1
InChIInChI=1S/C12H24ClNO/c1-3-12(2)4-7-14(8-5-12)9-11-15-10-6-13/h3-11H2,1-2H3
InChIKeyUBXJNWCMVHICIQ-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine (CID 63666893) is 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine is CCC1(C)CCN(CCOCCCl)CC1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine?
The InChIKey is UBXJNWCMVHICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-12(2)4-7-14(8-5-12)9-11-15-10-6-13/h3-11H2,1-2H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine?
1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine has a molecular weight of 233.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-4-ethyl-4-methylpiperidine is sourced from PubChem (CID 63666893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).