(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate

C32H49FN2O4 — CID 118874386

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)cc2F)CC(C)(C)N1
InChIInChI=1S/C32H49FN2O4/c1-29(2)16-23(17-30(3,4)34-29)38-27(36)21-11-9-20(10-12-21)22-13-14-25(26(33)15-22)28(37)39-24-18-31(5,6)35-32(7,8)19-24/h13-15,20-21,23-24,34-35H,9-12,16-19H2,1-8H3
InChIKeySVSAJTNDYFAMHO-UHFFFAOYSA-N
MW544.75 g/mol
LogP6.42
Rot. Bonds5

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate (PubChem CID 118874386) has the molecular formula C32H49FN2O4 and a molecular weight of 544.75 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate
PubChem CID118874386
Molecular FormulaC32H49FN2O4
Molecular Weight544.75 g/mol
Exact Mass544.37
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)cc2F)CC(C)(C)N1
InChIInChI=1S/C32H49FN2O4/c1-29(2)16-23(17-30(3,4)34-29)38-27(36)21-11-9-20(10-12-21)22-13-14-25(26(33)15-22)28(37)39-24-18-31(5,6)35-32(7,8)19-24/h13-15,20-21,23-24,34-35H,9-12,16-19H2,1-8H3
InChIKeySVSAJTNDYFAMHO-UHFFFAOYSA-N
XLogP6.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.75
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate (CID 118874386) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate is CC1(C)CC(OC(=O)c2ccc(C3CCC(C(=O)OC4CC(C)(C)NC(C)(C)C4)CC3)cc2F)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate?
The InChIKey is SVSAJTNDYFAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49FN2O4/c1-29(2)16-23(17-30(3,4)34-29)38-27(36)21-11-9-20(10-12-21)22-13-14-25(26(33)15-22)28(37)39-24-18-31(5,6)35-32(7,8)19-24/h13-15,20-21,23-24,34-35H,9-12,16-19H2,1-8H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate has a molecular weight of 544.75 g/mol, XLogP of 6.42, 5 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) 2-fluoro-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylcyclohexyl]benzoate is sourced from PubChem (CID 118874386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).