1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine

C10H20ClNO — CID 23049577

IUPAC1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCOC1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-9(2)6-8(13-5)7-10(3,4)12(9)11/h8H,6-7H2,1-5H3
InChIKeyCNXBBORMLUBBGF-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.81
Rot. Bonds1

About 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine

1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 23049577) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID23049577
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCOC1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-9(2)6-8(13-5)7-10(3,4)12(9)11/h8H,6-7H2,1-5H3
InChIKeyCNXBBORMLUBBGF-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine (CID 23049577) is 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine is COC1CC(C)(C)N(Cl)C(C)(C)C1.
What is the InChIKey of 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is CNXBBORMLUBBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(2)6-8(13-5)7-10(3,4)12(9)11/h8H,6-7H2,1-5H3.
What are the key properties of 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine?
1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 205.73 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 23049577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).