2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine

C42H68N2O4 — CID 15170011

IUPAC2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
SMILESCC1(C)CC(OCc2ccccc2)CC(C)(C)N1OCCCCCCCCCCON1C(C)(C)CC(OCc2ccccc2)CC1(C)C
InChIInChI=1S/C42H68N2O4/c1-39(2)29-37(45-33-35-23-17-15-18-24-35)30-40(3,4)43(39)47-27-21-13-11-9-10-12-14-22-28-48-44-41(5,6)31-38(32-42(44,7)8)46-34-36-25-19-16-20-26-36/h15-20,23-26,37-38H,9-14,21-22,27-34H2,1-8H3
InChIKeyUWRGQWMNLCLHEG-UHFFFAOYSA-N
MW665.02 g/mol
LogP10.45
Rot. Bonds19

About 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine

2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine (PubChem CID 15170011) has the molecular formula C42H68N2O4 and a molecular weight of 665.02 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
PubChem CID15170011
Molecular FormulaC42H68N2O4
Molecular Weight665.02 g/mol
Exact Mass664.52
IUPAC Name2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine
SMILESCC1(C)CC(OCc2ccccc2)CC(C)(C)N1OCCCCCCCCCCON1C(C)(C)CC(OCc2ccccc2)CC1(C)C
InChIInChI=1S/C42H68N2O4/c1-39(2)29-37(45-33-35-23-17-15-18-24-35)30-40(3,4)43(39)47-27-21-13-11-9-10-12-14-22-28-48-44-41(5,6)31-38(32-42(44,7)8)46-34-36-25-19-16-20-26-36/h15-20,23-26,37-38H,9-14,21-22,27-34H2,1-8H3
InChIKeyUWRGQWMNLCLHEG-UHFFFAOYSA-N
XLogP10.45
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.02
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
CID 90959885
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 135259547
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)acetamide
CID 102049531
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine (CID 15170011) is 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine is CC1(C)CC(OCc2ccccc2)CC(C)(C)N1OCCCCCCCCCCON1C(C)(C)CC(OCc2ccccc2)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine?
The InChIKey is UWRGQWMNLCLHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H68N2O4/c1-39(2)29-37(45-33-35-23-17-15-18-24-35)30-40(3,4)43(39)47-27-21-13-11-9-10-12-14-22-28-48-44-41(5,6)31-38(32-42(44,7)8)46-34-36-25-19-16-20-26-36/h15-20,23-26,37-38H,9-14,21-22,27-34H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine?
2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine has a molecular weight of 665.02 g/mol, XLogP of 10.45, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-phenylmethoxy-1-[10-(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl)oxydecoxy]piperidine is sourced from PubChem (CID 15170011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).