2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine

C25H33NO2 — CID 102127816

IUPAC2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC/C(=C\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO2/c1-24(2)16-11-17-25(3,4)26(24)28-20-23(22-14-9-6-10-15-22)19-27-18-21-12-7-5-8-13-21/h5-10,12-15,19H,11,16-18,20H2,1-4H3/b23-19+
InChIKeyLNVQNUQFMZXJMG-FCDQGJHFSA-N
MW379.54 g/mol
LogP6.22
Rot. Bonds7

About 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine

2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine (PubChem CID 102127816) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
PubChem CID102127816
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC/C(=C\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO2/c1-24(2)16-11-17-25(3,4)26(24)28-20-23(22-14-9-6-10-15-22)19-27-18-21-12-7-5-8-13-21/h5-10,12-15,19H,11,16-18,20H2,1-4H3/b23-19+
InChIKeyLNVQNUQFMZXJMG-FCDQGJHFSA-N
XLogP6.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid
CID 142744554
2,2-difluoroethenoxymethylbenzene
CID 53483110
2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
CID 15170011
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine (CID 102127816) is 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine is CC1(C)CCCC(C)(C)N1OC/C(=C\OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine?
The InChIKey is LNVQNUQFMZXJMG-FCDQGJHFSA-N. The full InChI is InChI=1S/C25H33NO2/c1-24(2)16-11-17-25(3,4)26(24)28-20-23(22-14-9-6-10-15-22)19-27-18-21-12-7-5-8-13-21/h5-10,12-15,19H,11,16-18,20H2,1-4H3/b23-19+.
What are the key properties of 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine?
2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine has a molecular weight of 379.54 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine is sourced from PubChem (CID 102127816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).