2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine

C21H33NO — CID 15519061

IUPAC2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine
SMILESC=CCCCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C21H33NO/c1-6-7-9-15-19(18-13-10-8-11-14-18)23-22-20(2,3)16-12-17-21(22,4)5/h6,8,10-11,13-14,19H,1,7,9,12,15-17H2,2-5H3
InChIKeyINCLXTAPWSSGIS-UHFFFAOYSA-N
MW315.50 g/mol
LogP6.06
Rot. Bonds7

About 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine

2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine (PubChem CID 15519061) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine
PubChem CID15519061
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine
SMILESC=CCCCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C21H33NO/c1-6-7-9-15-19(18-13-10-8-11-14-18)23-22-20(2,3)16-12-17-21(22,4)5/h6,8,10-11,13-14,19H,1,7,9,12,15-17H2,2-5H3
InChIKeyINCLXTAPWSSGIS-UHFFFAOYSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 4172562
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CID 284896
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CID 10978762
CID 10978762
CID 14894915
CID 14894915
CID 59327667
CID 59327667
CID 140397227
CID 140397227
CID 146169320
CID 146169320
CID 162403663
CID 162403663
CID 162407077
CID 162407077
CID 162407080
CID 162407080

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine (CID 15519061) is 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine is C=CCCCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine?
The InChIKey is INCLXTAPWSSGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-6-7-9-15-19(18-13-10-8-11-14-18)23-22-20(2,3)16-12-17-21(22,4)5/h6,8,10-11,13-14,19H,1,7,9,12,15-17H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine?
2,2,6,6-tetramethyl-1-(1-phenylhex-5-enoxy)piperidine has a molecular weight of 315.50 g/mol, XLogP of 6.06, 7 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-phenylhex-5-enoxy)piperidine is sourced from PubChem (CID 15519061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).