2,2,6,6-tetrakis(1-adamantyl)piperidine

C45H67N — CID 177432653

IUPAC2,2,6,6-tetrakis(1-adamantyl)piperidine
SMILESC1CC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)NC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C45H67N/c1-2-44(40-16-28-4-29(17-40)6-30(5-28)18-40,41-19-31-7-32(20-41)9-33(8-31)21-41)46-45(3-1,42-22-34-10-35(23-42)12-36(11-34)24-42)43-25-37-13-38(26-43)15-39(14-37)27-43/h28-39,46H,1-27H2
InChIKeyMGUDAVCXLLOZGS-UHFFFAOYSA-N
MW622.04 g/mol
LogP11.10
Rot. Bonds4

About 2,2,6,6-tetrakis(1-adamantyl)piperidine

2,2,6,6-tetrakis(1-adamantyl)piperidine (PubChem CID 177432653) has the molecular formula C45H67N and a molecular weight of 622.04 g/mol. Its IUPAC name is 2,2,6,6-tetrakis(1-adamantyl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetrakis(1-adamantyl)piperidine
PubChem CID177432653
Molecular FormulaC45H67N
Molecular Weight622.04 g/mol
Exact Mass621.53
IUPAC Name2,2,6,6-tetrakis(1-adamantyl)piperidine
SMILESC1CC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)NC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C45H67N/c1-2-44(40-16-28-4-29(17-40)6-30(5-28)18-40,41-19-31-7-32(20-41)9-33(8-31)21-41)46-45(3-1,42-22-34-10-35(23-42)12-36(11-34)24-42)43-25-37-13-38(26-43)15-39(14-37)27-43/h28-39,46H,1-27H2
InChIKeyMGUDAVCXLLOZGS-UHFFFAOYSA-N
XLogP11.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.04
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium 2,2,6,6-tetrakis(1-adamantyl)piperidin-1-ide
CID 177432652
bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
CID 162048501
1-(1-isocyanatocyclohexyl)adamantane
CID 175283465
1-(1-adamantyl)-N,N-dimethylcyclopentan-1-amine
CID 512345
5-(1-adamantyl)adamantan-2-ol
CID 68898703
adamantane;cycloheptane
CID 173136693
adamantane;1-methyladamantane
CID 53425859
1-adamantyl-(1-methylcyclohexyl)methanone
CID 58708576
1-(1-methylcyclohexyl)adamantane carbonate
CID 22447747
1-(1-adamantyl)cyclohex-2-en-1-ol
CID 11746527
3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane
CID 166765213
CID 173482593
CID 173482593

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetrakis(1-adamantyl)piperidine?
The IUPAC name of 2,2,6,6-tetrakis(1-adamantyl)piperidine (CID 177432653) is 2,2,6,6-tetrakis(1-adamantyl)piperidine.
What is the SMILES notation for 2,2,6,6-tetrakis(1-adamantyl)piperidine?
The canonical SMILES for 2,2,6,6-tetrakis(1-adamantyl)piperidine is C1CC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)NC(C23CC4CC(CC(C4)C2)C3)(C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2,2,6,6-tetrakis(1-adamantyl)piperidine?
The InChIKey is MGUDAVCXLLOZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H67N/c1-2-44(40-16-28-4-29(17-40)6-30(5-28)18-40,41-19-31-7-32(20-41)9-33(8-31)21-41)46-45(3-1,42-22-34-10-35(23-42)12-36(11-34)24-42)43-25-37-13-38(26-43)15-39(14-37)27-43/h28-39,46H,1-27H2.
What are the key properties of 2,2,6,6-tetrakis(1-adamantyl)piperidine?
2,2,6,6-tetrakis(1-adamantyl)piperidine has a molecular weight of 622.04 g/mol, XLogP of 11.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetrakis(1-adamantyl)piperidine is sourced from PubChem (CID 177432653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).