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

C12H24ClN — CID 141484250

IUPAC4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(CCCCl)CC(C)(C)N1
InChIInChI=1S/C12H24ClN/c1-11(2)8-10(6-5-7-13)9-12(3,4)14-11/h10,14H,5-9H2,1-4H3
InChIKeyNPOQWYLQKAZABC-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.56
Rot. Bonds3

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

4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine (PubChem CID 141484250) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine
PubChem CID141484250
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(CCCCl)CC(C)(C)N1
InChIInChI=1S/C12H24ClN/c1-11(2)8-10(6-5-7-13)9-12(3,4)14-11/h10,14H,5-9H2,1-4H3
InChIKeyNPOQWYLQKAZABC-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine (CID 141484250) is 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine is CC1(C)CC(CCCCl)CC(C)(C)N1.
What is the InChIKey of 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine?
The InChIKey is NPOQWYLQKAZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-11(2)8-10(6-5-7-13)9-12(3,4)14-11/h10,14H,5-9H2,1-4H3.
What are the key properties of 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine?
4-(3-chloropropyl)-2,2,6,6-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 4-(3-chloropropyl)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141484250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).