2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine

C15H29NO — CID 152521875

IUPAC2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
SMILESCC=COC1CC(C)(C)N(CCC)C(C)(C)C1
InChIInChI=1S/C15H29NO/c1-7-9-16-14(3,4)11-13(17-10-8-2)12-15(16,5)6/h8,10,13H,7,9,11-12H2,1-6H3
InChIKeyYHRQMGHADXIUII-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.97
Rot. Bonds4

About 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine

2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine (PubChem CID 152521875) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
PubChem CID152521875
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
SMILESCC=COC1CC(C)(C)N(CCC)C(C)(C)C1
InChIInChI=1S/C15H29NO/c1-7-9-16-14(3,4)11-13(17-10-8-2)12-15(16,5)6/h8,10,13H,7,9,11-12H2,1-6H3
InChIKeyYHRQMGHADXIUII-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine (CID 152521875) is 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine is CC=COC1CC(C)(C)N(CCC)C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine?
The InChIKey is YHRQMGHADXIUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-9-16-14(3,4)11-13(17-10-8-2)12-15(16,5)6/h8,10,13H,7,9,11-12H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine?
2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine is sourced from PubChem (CID 152521875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).