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

C42H80N4 — CID 139317413

IUPAC2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCC1(C)CC(C2CCC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H80N4/c1-35(2)19-27(20-36(3,4)43-35)31-17-18-32(28-21-37(5,6)44-38(7,8)22-28)34(30-25-41(13,14)46-42(15,16)26-30)33(31)29-23-39(9,10)45-40(11,12)24-29/h27-34,43-46H,17-26H2,1-16H3
InChIKeyHDWNITLQCSAIDL-UHFFFAOYSA-N
MW641.13 g/mol
LogP9.47
Rot. Bonds4

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

2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (PubChem CID 139317413) has the molecular formula C42H80N4 and a molecular weight of 641.13 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
PubChem CID139317413
Molecular FormulaC42H80N4
Molecular Weight641.13 g/mol
Exact Mass640.64
IUPAC Name2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCC1(C)CC(C2CCC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H80N4/c1-35(2)19-27(20-36(3,4)43-35)31-17-18-32(28-21-37(5,6)44-38(7,8)22-28)34(30-25-41(13,14)46-42(15,16)26-30)33(31)29-23-39(9,10)45-40(11,12)24-29/h27-34,43-46H,17-26H2,1-16H3
InChIKeyHDWNITLQCSAIDL-UHFFFAOYSA-N
XLogP9.47
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.13
LogP ≤ 59.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (CID 139317413) is 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is CC1(C)CC(C2CCC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The InChIKey is HDWNITLQCSAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80N4/c1-35(2)19-27(20-36(3,4)43-35)31-17-18-32(28-21-37(5,6)44-38(7,8)22-28)34(30-25-41(13,14)46-42(15,16)26-30)33(31)29-23-39(9,10)45-40(11,12)24-29/h27-34,43-46H,17-26H2,1-16H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine has a molecular weight of 641.13 g/mol, XLogP of 9.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is sourced from PubChem (CID 139317413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).