1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine

C50H96N4 — CID 139317100

IUPAC1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCCN1C(C)(C)CC(C2CCC(C3CC(C)(C)N(CC)C(C)(C)C3)C(C3CC(C)(C)N(CC)C(C)(C)C3)C2C2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H96N4/c1-21-51-43(5,6)27-35(28-44(51,7)8)39-25-26-40(36-29-45(9,10)52(22-2)46(11,12)30-36)42(38-33-49(17,18)54(24-4)50(19,20)34-38)41(39)37-31-47(13,14)53(23-3)48(15,16)32-37/h35-42H,21-34H2,1-20H3
InChIKeyGYXIKKBSIOUNEY-UHFFFAOYSA-N
MW753.35 g/mol
LogP12.40
Rot. Bonds8

About 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine

1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (PubChem CID 139317100) has the molecular formula C50H96N4 and a molecular weight of 753.35 g/mol. Its IUPAC name is 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
PubChem CID139317100
Molecular FormulaC50H96N4
Molecular Weight753.35 g/mol
Exact Mass752.76
IUPAC Name1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCCN1C(C)(C)CC(C2CCC(C3CC(C)(C)N(CC)C(C)(C)C3)C(C3CC(C)(C)N(CC)C(C)(C)C3)C2C2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H96N4/c1-21-51-43(5,6)27-35(28-44(51,7)8)39-25-26-40(36-29-45(9,10)52(22-2)46(11,12)30-36)42(38-33-49(17,18)54(24-4)50(19,20)34-38)41(39)37-31-47(13,14)53(23-3)48(15,16)32-37/h35-42H,21-34H2,1-20H3
InChIKeyGYXIKKBSIOUNEY-UHFFFAOYSA-N
XLogP12.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.35
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The IUPAC name of 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (CID 139317100) is 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.
What is the SMILES notation for 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The canonical SMILES for 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is CCN1C(C)(C)CC(C2CCC(C3CC(C)(C)N(CC)C(C)(C)C3)C(C3CC(C)(C)N(CC)C(C)(C)C3)C2C2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The InChIKey is GYXIKKBSIOUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H96N4/c1-21-51-43(5,6)27-35(28-44(51,7)8)39-25-26-40(36-29-45(9,10)52(22-2)46(11,12)30-36)42(38-33-49(17,18)54(24-4)50(19,20)34-38)41(39)37-31-47(13,14)53(23-3)48(15,16)32-37/h35-42H,21-34H2,1-20H3.
What are the key properties of 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine has a molecular weight of 753.35 g/mol, XLogP of 12.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,6,6-tetramethyl-4-[2,3,4-tris(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is sourced from PubChem (CID 139317100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).