3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine

C47H96N4 — CID 160707669

IUPAC3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(C)(C)C)C1.CC(C)N1CCCC(C(C)(C)C)C1
InChIInChI=1S/C13H25N.C12H25N.2C11H23N/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)13-8-6-7-11(9-13)12(3,4)5;1-9(2)12-7-6-10(8-12)11(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3
InChIKeyRRLAXUSFDDIBIC-UHFFFAOYSA-N
MW717.31 g/mol
LogP11.97
Rot. Bonds6

About 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine

3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine (PubChem CID 160707669) has the molecular formula C47H96N4 and a molecular weight of 717.31 g/mol. Its IUPAC name is 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine
PubChem CID160707669
Molecular FormulaC47H96N4
Molecular Weight717.31 g/mol
Exact Mass716.76
IUPAC Name3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(C)(C)C)C1.CC(C)N1CCCC(C(C)(C)C)C1
InChIInChI=1S/C13H25N.C12H25N.2C11H23N/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)13-8-6-7-11(9-13)12(3,4)5;1-9(2)12-7-6-10(8-12)11(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3
InChIKeyRRLAXUSFDDIBIC-UHFFFAOYSA-N
XLogP11.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.31
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
10-(2,8-Dimethyl-2,8-diazaspiro[4.5]decan-4-yl)-9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 91538992
3-Tert-butyl-8-ethyl-1-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)propyl]-8-azabicyclo[3.2.1]octane
CID 126539801
9-Propan-2-yl-3-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 134444573
8-[2-(9-Ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 134510565
2-[2-[6-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]propyl]-5-propan-2-yl-5-azaspiro[2.5]octane
CID 135197149
4-[2-(1,3-Dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
CID 138751927
2-(3,8-Dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
CID 139483144
9-Tert-butyl-3-[3-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethylbutan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 149505488
9-Tert-butyl-3-[5-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2,5-dimethylhexan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 156241627
(2S)-2-tert-butyl-4-[4-(3-tert-butyl-5-propan-2-ylpiperidin-1-yl)-2-methylbutan-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 156357549
1-tert-butyl-4-[[4-[5-[(3S)-3-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-1-yl]methyl]piperidine
CID 156551545

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine (CID 160707669) is 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine is CC(C)C1CC2CCC(C1)N2C(C)C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(C)(C)C)C1.CC(C)N1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine?
The InChIKey is RRLAXUSFDDIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H25N.2C11H23N/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-10(2)13-8-6-7-11(9-13)12(3,4)5;1-9(2)12-7-6-10(8-12)11(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine?
3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine has a molecular weight of 717.31 g/mol, XLogP of 11.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylpyrrolidine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 160707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).