[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

C38H52N2O6 — CID 15169992

IUPAC[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC1C=CC(ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C38H52N2O6/c1-35(2)23-31(43-33(41)27-15-11-9-12-16-27)24-36(3,4)39(35)45-29-19-21-30(22-20-29)46-40-37(5,6)25-32(26-38(40,7)8)44-34(42)28-17-13-10-14-18-28/h9-19,21,29-32H,20,22-26H2,1-8H3
InChIKeyOASRVPPNHHQSDD-UHFFFAOYSA-N
MW632.84 g/mol
LogP7.69
Rot. Bonds8

About [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 15169992) has the molecular formula C38H52N2O6 and a molecular weight of 632.84 g/mol. Its IUPAC name is [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID15169992
Molecular FormulaC38H52N2O6
Molecular Weight632.84 g/mol
Exact Mass632.38
IUPAC Name[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC1C=CC(ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C38H52N2O6/c1-35(2)23-31(43-33(41)27-15-11-9-12-16-27)24-36(3,4)39(35)45-29-19-21-30(22-20-29)46-40-37(5,6)25-32(26-38(40,7)8)44-34(42)28-17-13-10-14-18-28/h9-19,21,29-32H,20,22-26H2,1-8H3
InChIKeyOASRVPPNHHQSDD-UHFFFAOYSA-N
XLogP7.69
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.84
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 15169992) is [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC1C=CC(ON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)CC1.
What is the InChIKey of [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is OASRVPPNHHQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N2O6/c1-35(2)23-31(43-33(41)27-15-11-9-12-16-27)24-36(3,4)39(35)45-29-19-21-30(22-20-29)46-40-37(5,6)25-32(26-38(40,7)8)44-34(42)28-17-13-10-14-18-28/h9-19,21,29-32H,20,22-26H2,1-8H3.
What are the key properties of [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 632.84 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohex-2-en-1-yl]oxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 15169992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).