bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane

C87H183N5 — CID 165094112

IUPACbis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
SMILESCC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(CC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C12H24.C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3
InChIKeyXFCYUMOZZGQUQZ-UHFFFAOYSA-N
MW1299.46 g/mol
LogP26.65
Rot. Bonds4

About bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane

bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane (PubChem CID 165094112) has the molecular formula C87H183N5 and a molecular weight of 1299.46 g/mol. Its IUPAC name is bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Namebis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
PubChem CID165094112
Molecular FormulaC87H183N5
Molecular Weight1299.46 g/mol
Exact Mass1298.45
IUPAC Namebis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane
SMILESCC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(CC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C12H24.C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3
InChIKeyXFCYUMOZZGQUQZ-UHFFFAOYSA-N
XLogP26.65
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.46
LogP ≤ 526.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,2,6,6-Pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691670
7,14,25,32-Tetrazanonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentacontane
CID 58298263
1-Methyl-4-[3,5,7-tris(1-methylpiperidin-4-yl)-1-adamantyl]piperidine
CID 60060475
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
1,2,2,6,6-Pentamethyl-4-[2,3,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 140410175
3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
2,9-Di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
CID 157646351
1,2,2,6,6-Pentamethyl-4-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,2-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]piperidine
CID 158160312
1,4-Bis(2,3,3-trimethylbutan-2-yl)piperazine;bis(1,3-bis(2,3,3-trimethylbutan-2-yl)piperidine);bis(1,4-bis(2,3,3-trimethylbutan-2-yl)piperidine);methane
CID 158217418
(1R,4S,5R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(1S,4R,5R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(1R,4S,5S)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;(1S,4R,5S)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane
CID 158246749
4-Tert-butyl-2,3-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2,6-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2-methyl-1-propan-2-ylpiperidine;4-tert-butyl-3-methyl-1-propan-2-ylpiperidine;4-tert-butyl-4-methyl-1-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine
CID 158478736
1-Tert-butyl-4-(cyclohexylmethyl)piperazine;4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;tris(1-(cyclohexylmethyl)-4-ethylpiperazine);bis(1-(cyclohexylmethyl)-4-propylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine
CID 158819497

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The IUPAC name of bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane (CID 165094112) is bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane.
What is the SMILES notation for bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The canonical SMILES for bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane is CC.CC.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC1CCC(CC(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
The InChIKey is XFCYUMOZZGQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C11H23N.2C11H22.2C10H21N.2C9H19N.2C2H6/c1-10-5-7-11(8-6-10)9-12(2,3)4;1-11(2,3)9-10-5-7-12(4)8-6-10;2*1-11(2,3)9-10-7-5-4-6-8-10;2*1-9-5-7-11(8-6-9)10(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-2/h10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;2*10H,4-9H2,1-3H3;2*9H,5-8H2,1-4H3;2*4-8H2,1-3H3;2*1-2H3.
What are the key properties of bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane?
bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane has a molecular weight of 1299.46 g/mol, XLogP of 26.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butylpiperidine);bis(2,2-dimethylpropylcyclohexane);1-(2,2-dimethylpropyl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1-methylpiperidine;ethane is sourced from PubChem (CID 165094112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).