bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane

C65H122N4O8 — CID 157489210

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CCCC(C)(C)C1.CC1CC(C)(C)CC(C)(C)C1.CN1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H42N2O4.C21H38N2O4.C11H22.C10H20/c1-20(2)12-16(13-21(3,4)24(20)9)28-18(26)11-19(27)29-17-14-22(5,6)25(10)23(7,8)15-17;1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15;1-9-6-10(2,3)8-11(4,5)7-9;1-9(2)6-5-7-10(3,4)8-9/h16-17H,11-15H2,1-10H3;14-15,22-23H,9-13H2,1-8H3;9H,6-8H2,1-5H3;5-8H2,1-4H3
InChIKeyBXBMRQPZQCDLED-UHFFFAOYSA-N
MW1087.71 g/mol
LogP14.32
Rot. Bonds8

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane (PubChem CID 157489210) has the molecular formula C65H122N4O8 and a molecular weight of 1087.71 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane
PubChem CID157489210
Molecular FormulaC65H122N4O8
Molecular Weight1087.71 g/mol
Exact Mass1086.93
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CCCC(C)(C)C1.CC1CC(C)(C)CC(C)(C)C1.CN1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H42N2O4.C21H38N2O4.C11H22.C10H20/c1-20(2)12-16(13-21(3,4)24(20)9)28-18(26)11-19(27)29-17-14-22(5,6)25(10)23(7,8)15-17;1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15;1-9-6-10(2,3)8-11(4,5)7-9;1-9(2)6-5-7-10(3,4)8-9/h16-17H,11-15H2,1-10H3;14-15,22-23H,9-13H2,1-8H3;9H,6-8H2,1-5H3;5-8H2,1-4H3
InChIKeyBXBMRQPZQCDLED-UHFFFAOYSA-N
XLogP14.32
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms77
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.71
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane 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 bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane (CID 157489210) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane is CC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CCCC(C)(C)C1.CC1CC(C)(C)CC(C)(C)C1.CN1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane?
The InChIKey is BXBMRQPZQCDLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4.C21H38N2O4.C11H22.C10H20/c1-20(2)12-16(13-21(3,4)24(20)9)28-18(26)11-19(27)29-17-14-22(5,6)25(10)23(7,8)15-17;1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15;1-9-6-10(2,3)8-11(4,5)7-9;1-9(2)6-5-7-10(3,4)8-9/h16-17H,11-15H2,1-10H3;14-15,22-23H,9-13H2,1-8H3;9H,6-8H2,1-5H3;5-8H2,1-4H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane has a molecular weight of 1087.71 g/mol, XLogP of 14.32, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 157489210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).