3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine

C125H265N13 — CID 158907796

IUPAC3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)C1CCCN(C(C)C)C1.CC(C)CC1CCCN(C(C)C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC1CC(C)CN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCCC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.2C11H23N.3C10H21N.5C9H19N.C8H17N.C7H15N.CH4/c1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;2*1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9-10H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyJGGNTBULFRGYTE-UHFFFAOYSA-N
MW1950.59 g/mol
LogP31.01
Rot. Bonds21

About 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine

3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158907796) has the molecular formula C125H265N13 and a molecular weight of 1950.59 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158907796
Molecular FormulaC125H265N13
Molecular Weight1950.59 g/mol
Exact Mass1949.11
IUPAC Name3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)C1CCCN(C(C)C)C1.CC(C)CC1CCCN(C(C)C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC1CC(C)CN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCCC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.2C11H23N.3C10H21N.5C9H19N.C8H17N.C7H15N.CH4/c1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;2*1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9-10H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyJGGNTBULFRGYTE-UHFFFAOYSA-N
XLogP31.01
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.59
LogP ≤ 531.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

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
1-azabicyclo[2.2.2]octane;1-methylazepane;1-methylpiperidine;tris(N-methylpropan-2-amine);1-methylpyrrolidine;piperidine;pyrrolidine
CID 158136572
1,3-Di(propan-2-yl)piperidine;2-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158532921
1,3-Dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
CID 158593855
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
2,3-Dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
CID 158695141
Bis(1,2-di(propan-2-yl)azepane);pentakis(1,2-di(propan-2-yl)piperidine);1,2-di(propan-2-yl)pyrrolidine
CID 159205798
1-Tert-butyl-2-(2,2-dimethylpropyl)-2,5-dimethanidylpyrrolidine;1-tert-butyl-2-(2,2-dimethylpropyl)-2-methanidylpiperidin-4-ide;1-tert-butyl-2-(2,2-dimethylpropyl)-6-methanidylpiperidin-3-ide;1-tert-butyl-2-(2,2-dimethylpropyl)-5-methylpiperidin-3-ide;tetrakis(yttrium)
CID 159215023
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(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;ethane
CID 159665952
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(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;1,2-ditert-butylpyrrolidine;ethane
CID 159956624
3,5-Dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
CID 159988029

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine (CID 158907796) is 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine is C.CC(C)C1CCCN(C(C)C)C1.CC(C)CC1CCCN(C(C)C)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC1CC(C)CN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)C1.CCC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.CCCC1CCN(C(C)C)CC1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is JGGNTBULFRGYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.2C11H23N.3C10H21N.5C9H19N.C8H17N.C7H15N.CH4/c1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;2*1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-4-9-5-6-10(7-9)8(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9-10H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine?
3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 1950.59 g/mol, XLogP of 31.01, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158907796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).