4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine

C65H132N6 — CID 165008942

IUPAC4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine
SMILESCC1CC(C(C)(C)C)CCN1C.CC1CN(C)CCC1C(C)(C)C.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC2C(C1)C2C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C12H23N.3C11H23N.C10H19N.C10H21N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-10(2,3)11(4)6-8-12(5)9-7-11;1-9-8-12(5)7-6-10(9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-10(2,3)9-7-5-11(4)6-8(7)9;1-10(2,3)9-5-7-11(4)8-6-9/h9-11H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;7-9H,5-6H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyJKBHOCNLZQHAIP-UHFFFAOYSA-N
MW997.81 g/mol
LogP15.27
Rot. Bonds

About 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine

4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine (PubChem CID 165008942) has the molecular formula C65H132N6 and a molecular weight of 997.81 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine
PubChem CID165008942
Molecular FormulaC65H132N6
Molecular Weight997.81 g/mol
Exact Mass997.05
IUPAC Name4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine
SMILESCC1CC(C(C)(C)C)CCN1C.CC1CN(C)CCC1C(C)(C)C.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC2C(C1)C2C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C12H23N.3C11H23N.C10H19N.C10H21N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-10(2,3)11(4)6-8-12(5)9-7-11;1-9-8-12(5)7-6-10(9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-10(2,3)9-7-5-11(4)6-8(7)9;1-10(2,3)9-5-7-11(4)8-6-9/h9-11H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;7-9H,5-6H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyJKBHOCNLZQHAIP-UHFFFAOYSA-N
XLogP15.27
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.81
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
3-Tert-butyl-1-azabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane
CID 157889184
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-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
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
Bis(3,9-dimethyl-9-azabicyclo[3.3.1]nonane);bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
CID 159018207
3,9-Dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 159107332
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
5,8-Dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine
CID 159653201

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine?
The IUPAC name of 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine (CID 165008942) is 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine?
The canonical SMILES for 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine is CC1CC(C(C)(C)C)CCN1C.CC1CN(C)CCC1C(C)(C)C.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC2C(C1)C2C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine?
The InChIKey is JKBHOCNLZQHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.3C11H23N.C10H19N.C10H21N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-10(2,3)11(4)6-8-12(5)9-7-11;1-9-8-12(5)7-6-10(9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-10(2,3)9-7-5-11(4)6-8(7)9;1-10(2,3)9-5-7-11(4)8-6-9/h9-11H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;7-9H,5-6H2,1-4H3;9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine?
4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine has a molecular weight of 997.81 g/mol, XLogP of 15.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethylpiperidine;4-tert-butyl-1,3-dimethylpiperidine;4-tert-butyl-1,4-dimethylpiperidine;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;4-tert-butyl-1-methylpiperidine is sourced from PubChem (CID 165008942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).