2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate

C33H52N2O6 — CID 19855270

IUPAC2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
SMILESCON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H52N2O6/c1-30(2)19-24(20-31(3,4)34(30)38-9)39-28(36)26-17-13-14-18-27(26)29(37)40-25-21-32(5,6)35(33(7,8)22-25)41-23-15-11-10-12-16-23/h13-14,17-18,23-25H,10-12,15-16,19-22H2,1-9H3
InChIKeySRHRYDMEBRHFNV-UHFFFAOYSA-N
MW572.79 g/mol
LogP6.87
Rot. Bonds7

About 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate

2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (PubChem CID 19855270) has the molecular formula C33H52N2O6 and a molecular weight of 572.79 g/mol. Its IUPAC name is 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
PubChem CID19855270
Molecular FormulaC33H52N2O6
Molecular Weight572.79 g/mol
Exact Mass572.38
IUPAC Name2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
SMILESCON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H52N2O6/c1-30(2)19-24(20-31(3,4)34(30)38-9)39-28(36)26-17-13-14-18-27(26)29(37)40-25-21-32(5,6)35(33(7,8)22-25)41-23-15-11-10-12-16-23/h13-14,17-18,23-25H,10-12,15-16,19-22H2,1-9H3
InChIKeySRHRYDMEBRHFNV-UHFFFAOYSA-N
XLogP6.87
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.79
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (CID 19855270) is 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate is CON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The InChIKey is SRHRYDMEBRHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O6/c1-30(2)19-24(20-31(3,4)34(30)38-9)39-28(36)26-17-13-14-18-27(26)29(37)40-25-21-32(5,6)35(33(7,8)22-25)41-23-15-11-10-12-16-23/h13-14,17-18,23-25H,10-12,15-16,19-22H2,1-9H3.
What are the key properties of 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate has a molecular weight of 572.79 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 19855270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).