2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine

C12H24ClN — CID 21031542

IUPAC2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine
SMILESCC1CC(C)(C)NC(C)(CCCCl)C1
InChIInChI=1S/C12H24ClN/c1-10-8-11(2,3)14-12(4,9-10)6-5-7-13/h10,14H,5-9H2,1-4H3
InChIKeyVXKDLUQRYAUVNT-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine

2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine (PubChem CID 21031542) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine
PubChem CID21031542
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine
SMILESCC1CC(C)(C)NC(C)(CCCCl)C1
InChIInChI=1S/C12H24ClN/c1-10-8-11(2,3)14-12(4,9-10)6-5-7-13/h10,14H,5-9H2,1-4H3
InChIKeyVXKDLUQRYAUVNT-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2,2,6,6-tetramethylpiperidine
CID 2780401
2,2,6,6-Tetramethyl-4-(2-chloroethyl)piperidine
CID 20402806
Piperidine, 4-(chloromethyl)-2,2,6,6-tetramethyl-
CID 12293509
3,5-Dichloro-2,2,6,6-tetramethylpiperidine
CID 129760368
4-Chloro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 21839194
3-Chloro-2,2,6,6-tetramethylpiperidine
CID 141222518
4-(3-Chloropropyl)-2,2,6,6-tetramethylpiperidine
CID 141484250
5-chloro-N,3,7-trimethyloctan-3-amine
CID 143529465
2-Chloro-5-(2-methylpropyl)piperidine
CID 167220629
2-Butan-2-yl-5-chloropiperidine
CID 172345452
4-Chloro-2,2,6,6-tetramethylpiperidine hydrochloride
CID 2780400
4-Chloro-2,2,6,6-tetramethylpiperidin-1-ium
CID 6932750

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine?
The IUPAC name of 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine (CID 21031542) is 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine.
What is the SMILES notation for 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine?
The canonical SMILES for 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine is CC1CC(C)(C)NC(C)(CCCCl)C1.
What is the InChIKey of 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine?
The InChIKey is VXKDLUQRYAUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-10-8-11(2,3)14-12(4,9-10)6-5-7-13/h10,14H,5-9H2,1-4H3.
What are the key properties of 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine?
2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine has a molecular weight of 217.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2,4,6,6-tetramethylpiperidine is sourced from PubChem (CID 21031542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).