1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane

C88H189N7 — CID 158654218

IUPAC1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
SMILESCC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)CC1CCCCN1C(C)(C)C.CC(C)(C)[C@@H]1CCCCN1C(C)(C)C.CCC.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C14H29N.3C13H27N.C10H21N.2C9H19N.C3H8.2C2H6/c1-13(2,3)11-12-9-7-8-10-15(12)14(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;2*1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-9-7-5-6-8-11(9)10(2,3)4;2*1-8-6-5-7-10(8)9(2,3)4;1-3-2;2*1-2/h12H,7-11H2,1-6H3;3*11H,7-10H2,1-6H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3/t;;11-;;9-;2*8-;;;/m..0.010.../s1
InChIKeyIBXUDACUTRLFPU-FXXKJXGUSA-N
MW1345.53 g/mol
LogP25.66
Rot. Bonds1

About 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane

1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane (PubChem CID 158654218) has the molecular formula C88H189N7 and a molecular weight of 1345.53 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane.

Molecular Properties

Compound Name1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
PubChem CID158654218
Molecular FormulaC88H189N7
Molecular Weight1345.53 g/mol
Exact Mass1344.50
IUPAC Name1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
SMILESCC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)CC1CCCCN1C(C)(C)C.CC(C)(C)[C@@H]1CCCCN1C(C)(C)C.CCC.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C14H29N.3C13H27N.C10H21N.2C9H19N.C3H8.2C2H6/c1-13(2,3)11-12-9-7-8-10-15(12)14(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;2*1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-9-7-5-6-8-11(9)10(2,3)4;2*1-8-6-5-7-10(8)9(2,3)4;1-3-2;2*1-2/h12H,7-11H2,1-6H3;3*11H,7-10H2,1-6H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3/t;;11-;;9-;2*8-;;;/m..0.010.../s1
InChIKeyIBXUDACUTRLFPU-FXXKJXGUSA-N
XLogP25.66
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.53
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane with MolForge

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Related Compounds

Tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59100553
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
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
CID 157322500
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157426798
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
Carbanide;10,12-dimethyl-6-azoniaspiro[5.6]dodecane;11,12-dimethyl-6-azoniaspiro[5.6]dodecane;6,7,8,9,10,11-hexamethyl-5-azoniaspiro[4.6]undecane;7-methyl-6-azoniaspiro[5.6]dodecane;10-methyl-6-azoniaspiro[5.6]dodecane;11-methyl-6-azoniaspiro[5.6]dodecane;6,7,9,10,11-pentamethyl-5-azoniaspiro[4.6]undecane
CID 157710910
1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 157814797
(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157948271
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
(2S)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158358139
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 158426270

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane?
The IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane (CID 158654218) is 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane.
What is the SMILES notation for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane?
The canonical SMILES for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane is CC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)CC1CCCCN1C(C)(C)C.CC(C)(C)[C@@H]1CCCCN1C(C)(C)C.CCC.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane?
The InChIKey is IBXUDACUTRLFPU-FXXKJXGUSA-N. The full InChI is InChI=1S/C14H29N.3C13H27N.C10H21N.2C9H19N.C3H8.2C2H6/c1-13(2,3)11-12-9-7-8-10-15(12)14(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;2*1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-9-7-5-6-8-11(9)10(2,3)4;2*1-8-6-5-7-10(8)9(2,3)4;1-3-2;2*1-2/h12H,7-11H2,1-6H3;3*11H,7-10H2,1-6H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3/t;;11-;;9-;2*8-;;;/m..0.010.../s1.
What are the key properties of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane?
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane has a molecular weight of 1345.53 g/mol, XLogP of 25.66, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane is sourced from PubChem (CID 158654218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).