bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

C28H50Cl2N2O4 — CID 14241397

IUPACbis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cl)C(C)(C)C2)CC(C)(C)N1Cl
InChIInChI=1S/C28H50Cl2N2O4/c1-25(2)17-21(18-26(3,4)31(25)29)35-23(33)15-13-11-9-10-12-14-16-24(34)36-22-19-27(5,6)32(30)28(7,8)20-22/h21-22H,9-20H2,1-8H3
InChIKeyBWLOSIOFKQWJIU-UHFFFAOYSA-N
MW549.62 g/mol
LogP7.54
Rot. Bonds11

About bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 14241397) has the molecular formula C28H50Cl2N2O4 and a molecular weight of 549.62 g/mol. Its IUPAC name is bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID14241397
Molecular FormulaC28H50Cl2N2O4
Molecular Weight549.62 g/mol
Exact Mass548.31
IUPAC Namebis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cl)C(C)(C)C2)CC(C)(C)N1Cl
InChIInChI=1S/C28H50Cl2N2O4/c1-25(2)17-21(18-26(3,4)31(25)29)35-23(33)15-13-11-9-10-12-14-16-24(34)36-22-19-27(5,6)32(30)28(7,8)20-22/h21-22H,9-20H2,1-8H3
InChIKeyBWLOSIOFKQWJIU-UHFFFAOYSA-N
XLogP7.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate 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-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (CID 14241397) is bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cl)C(C)(C)C2)CC(C)(C)N1Cl.
What is the InChIKey of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is BWLOSIOFKQWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50Cl2N2O4/c1-25(2)17-21(18-26(3,4)31(25)29)35-23(33)15-13-11-9-10-12-14-16-24(34)36-22-19-27(5,6)32(30)28(7,8)20-22/h21-22H,9-20H2,1-8H3.
What are the key properties of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 549.62 g/mol, XLogP of 7.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 14241397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).