(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate

C35H54F2N2O4 — CID 118888790

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(CCC3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c(C(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C35H54F2N2O4/c1-32(2)18-26(19-33(3,4)38-32)42-30(40)24-13-10-22(11-14-24)9-12-23-15-16-25(17-28(23)29(36)37)31(41)43-27-20-34(5,6)39-35(7,8)21-27/h15-17,22,24,26-27,29,38-39H,9-14,18-21H2,1-8H3
InChIKeyBDVPOYJZBMZDDY-UHFFFAOYSA-N
MW604.82 g/mol
LogP7.68
Rot. Bonds8

About (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate (PubChem CID 118888790) has the molecular formula C35H54F2N2O4 and a molecular weight of 604.82 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate
PubChem CID118888790
Molecular FormulaC35H54F2N2O4
Molecular Weight604.82 g/mol
Exact Mass604.41
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(CCC3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c(C(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C35H54F2N2O4/c1-32(2)18-26(19-33(3,4)38-32)42-30(40)24-13-10-22(11-14-24)9-12-23-15-16-25(17-28(23)29(36)37)31(41)43-27-20-34(5,6)39-35(7,8)21-27/h15-17,22,24,26-27,29,38-39H,9-14,18-21H2,1-8H3
InChIKeyBDVPOYJZBMZDDY-UHFFFAOYSA-N
XLogP7.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.82
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate (CID 118888790) is (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate is CC1(C)CC(OC(=O)c2ccc(CCC3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)c(C(F)F)c2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate?
The InChIKey is BDVPOYJZBMZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54F2N2O4/c1-32(2)18-26(19-33(3,4)38-32)42-30(40)24-13-10-22(11-14-24)9-12-23-15-16-25(17-28(23)29(36)37)31(41)43-27-20-34(5,6)39-35(7,8)21-27/h15-17,22,24,26-27,29,38-39H,9-14,18-21H2,1-8H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate has a molecular weight of 604.82 g/mol, XLogP of 7.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 3-(difluoromethyl)-4-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]ethyl]benzoate is sourced from PubChem (CID 118888790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).