4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine

C12H24ClNO — CID 106457882

IUPAC4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C12H24ClNO/c1-10(2)9-15-7-6-14-5-4-12(13)11(3)8-14/h10-12H,4-9H2,1-3H3
InChIKeyBXWJTYPQEBGXGZ-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine

4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 106457882) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID106457882
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C12H24ClNO/c1-10(2)9-15-7-6-14-5-4-12(13)11(3)8-14/h10-12H,4-9H2,1-3H3
InChIKeyBXWJTYPQEBGXGZ-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.61
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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Related Compounds

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CID 20201055
4-(2-Methylhexyl)morpholine
CID 102491214
3-(2-Chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 55184040
3-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 63386533
1-[2-(2-Chloroethoxy)ethyl]-3-(trifluoromethyl)piperidine
CID 65536580
3-Chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 102959886
4-(1-Chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 106838155
4-Chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 114682319
4-Chloro-3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 114682328
4-(3-Chlorobutyl)morpholine
CID 15104446
4-(5-Chloropentyl)morpholine
CID 15104447
4-(2-Chloropentyl)morpholine
CID 19907056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 106457882) is 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine is CC(C)COCCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is BXWJTYPQEBGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(2)9-15-7-6-14-5-4-12(13)11(3)8-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine?
4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 233.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 106457882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).