4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

C22H41NO5 — CID 139514421

IUPAC4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCC(C)CC(CC(C)C)OC(=O)CCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H41NO5/c1-15(2)11-17(12-16(3)4)27-19(24)9-10-20(25)28-18-13-21(5,6)23(26)22(7,8)14-18/h15-18,26H,9-14H2,1-8H3
InChIKeyDGQVYRMDHXQXSK-UHFFFAOYSA-N
MW399.57 g/mol
LogP4.72
Rot. Bonds9

About 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (PubChem CID 139514421) has the molecular formula C22H41NO5 and a molecular weight of 399.57 g/mol. Its IUPAC name is 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Name4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
PubChem CID139514421
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC Name4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCC(C)CC(CC(C)C)OC(=O)CCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H41NO5/c1-15(2)11-17(12-16(3)4)27-19(24)9-10-20(25)28-18-13-21(5,6)23(26)22(7,8)14-18/h15-18,26H,9-14H2,1-8H3
InChIKeyDGQVYRMDHXQXSK-UHFFFAOYSA-N
XLogP4.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
CID 163897678
CID 163897678
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
CID 126595053
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate
CID 121244541
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate
CID 71191761

Frequently Asked Questions

What is the IUPAC name of 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The IUPAC name of 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (CID 139514421) is 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.
What is the SMILES notation for 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The canonical SMILES for 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is CC(C)CC(CC(C)C)OC(=O)CCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The InChIKey is DGQVYRMDHXQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO5/c1-15(2)11-17(12-16(3)4)27-19(24)9-10-20(25)28-18-13-21(5,6)23(26)22(7,8)14-18/h15-18,26H,9-14H2,1-8H3.
What are the key properties of 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate has a molecular weight of 399.57 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 139514421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).