tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)

C57H116N4O — CID 159386945

IUPACtert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/3C12H25N.C11H21NO.C10H20/c3*1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h3*11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyLLPQWFKVXACVKA-UHFFFAOYSA-N
MW873.58 g/mol
LogP15.37
Rot. Bonds6

About tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)

tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) (PubChem CID 159386945) has the molecular formula C57H116N4O and a molecular weight of 873.58 g/mol. Its IUPAC name is tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine).

Molecular Properties

Compound Nametert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)
PubChem CID159386945
Molecular FormulaC57H116N4O
Molecular Weight873.58 g/mol
Exact Mass872.91
IUPAC Nametert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/3C12H25N.C11H21NO.C10H20/c3*1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h3*11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyLLPQWFKVXACVKA-UHFFFAOYSA-N
XLogP15.37
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.58
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-[1-[3-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 90441074
1-[4-[3-[1-[3-[4-[3-(1-Methylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 90441081
1-[4-[3-[1-[3-[4-(1-Tert-butylpiperidin-4-yl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 132059292
1,1-Di(propan-2-yl)cyclobutane;bis(1,1-di(propan-2-yl)cyclohexane);1-[4,4-di(propan-2-yl)piperidin-1-yl]ethanone;methane;1-methyl-4,4-di(propan-2-yl)piperidine
CID 157336933
1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 159520021
Carbanide;1-[1-methyl-4-[(1-methyl-1-propanoylpiperidin-1-ium-4-yl)methyl]piperidin-1-ium-1-yl]propan-1-one;1-[4-[(1-propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 160592103
1,1-Di(propan-2-yl)cyclobutane;bis(1,1-di(propan-2-yl)cyclohexane);1-[4,4-di(propan-2-yl)piperidin-1-yl]ethanone;methane;1-methyl-4,4-di(propan-2-yl)piperidine
CID 167594484
2-Methyl-1-[4-[3-[4-[5-[4-[2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]piperidin-1-yl]hexan-2-yl]piperidin-1-yl]propyl]piperidin-1-yl]propan-1-one
CID 170221464
1-[9-[[4-(4-Tert-butylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-azaspiro[5.5]undecan-3-yl]-2,2-dimethylpropan-1-one
CID 172096487
2-Methyl-1-[9-[[4-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 172096520
3-Methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium
CID 172604778
1-[9-[(4-Propan-2-ylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195646

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)?
The IUPAC name of tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) (CID 159386945) is tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine).
What is the SMILES notation for tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)?
The canonical SMILES for tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) is CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)?
The InChIKey is LLPQWFKVXACVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H25N.C11H21NO.C10H20/c3*1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h3*11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,4-8H2,1-3H3.
What are the key properties of tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)?
tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) has a molecular weight of 873.58 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine) is sourced from PubChem (CID 159386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).