3-chloro-2,2,6,6-tetramethylpiperidine

C9H18ClN — CID 141222518

IUPAC3-chloro-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCC(Cl)C(C)(C)N1
InChIInChI=1S/C9H18ClN/c1-8(2)6-5-7(10)9(3,4)11-8/h7,11H,5-6H2,1-4H3
InChIKeyFNZUZKPHTRTPAT-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.53
Rot. Bonds

About 3-chloro-2,2,6,6-tetramethylpiperidine

3-chloro-2,2,6,6-tetramethylpiperidine (PubChem CID 141222518) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 3-chloro-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name3-chloro-2,2,6,6-tetramethylpiperidine
PubChem CID141222518
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name3-chloro-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCC(Cl)C(C)(C)N1
InChIInChI=1S/C9H18ClN/c1-8(2)6-5-7(10)9(3,4)11-8/h7,11H,5-6H2,1-4H3
InChIKeyFNZUZKPHTRTPAT-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.53
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 3-chloro-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 3-chloro-2,2,6,6-tetramethylpiperidine (CID 141222518) is 3-chloro-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 3-chloro-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 3-chloro-2,2,6,6-tetramethylpiperidine is CC1(C)CCC(Cl)C(C)(C)N1.
What is the InChIKey of 3-chloro-2,2,6,6-tetramethylpiperidine?
The InChIKey is FNZUZKPHTRTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8(2)6-5-7(10)9(3,4)11-8/h7,11H,5-6H2,1-4H3.
What are the key properties of 3-chloro-2,2,6,6-tetramethylpiperidine?
3-chloro-2,2,6,6-tetramethylpiperidine has a molecular weight of 175.70 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).