2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine

C17H27NO — CID 4172562

IUPAC2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(15-10-7-6-8-11-15)19-18-16(2,3)12-9-13-17(18,4)5/h6-8,10-11,14H,9,12-13H2,1-5H3
InChIKeyWURBRXPDUPECQX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.72
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine

2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine (PubChem CID 4172562) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
PubChem CID4172562
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(15-10-7-6-8-11-15)19-18-16(2,3)12-9-13-17(18,4)5/h6-8,10-11,14H,9,12-13H2,1-5H3
InChIKeyWURBRXPDUPECQX-UHFFFAOYSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine (CID 4172562) is 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine is CC(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine?
The InChIKey is WURBRXPDUPECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(15-10-7-6-8-11-15)19-18-16(2,3)12-9-13-17(18,4)5/h6-8,10-11,14H,9,12-13H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine?
2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine has a molecular weight of 261.41 g/mol, XLogP of 4.72, 3 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-1-(1-phenylethoxy)piperidine is sourced from PubChem (CID 4172562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).