2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine

C47H98N8 — CID 167595611

IUPAC2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1
InChIInChI=1S/2C12H24N2.C12H26N2.C11H24N2/c1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12/h10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;9-11H,6-8H2,1-5H3/t;;;11-/m...0/s1
InChIKeyJAFIBDZWPJZAOZ-ZPUJASNBSA-N
MW775.36 g/mol
LogP7.77
Rot. Bonds8

About 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine

2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine (PubChem CID 167595611) has the molecular formula C47H98N8 and a molecular weight of 775.36 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
PubChem CID167595611
Molecular FormulaC47H98N8
Molecular Weight775.36 g/mol
Exact Mass774.79
IUPAC Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1
InChIInChI=1S/2C12H24N2.C12H26N2.C11H24N2/c1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12/h10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;9-11H,6-8H2,1-5H3/t;;;11-/m...0/s1
InChIKeyJAFIBDZWPJZAOZ-ZPUJASNBSA-N
XLogP7.77
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.36
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine with MolForge

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Related Compounds

2-Tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 157092538
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
CID 159773613
1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 159885663
1,3-Ditert-butylazetidine;1,2-ditert-butylaziridine;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 160791069
9-Tert-butyl-2-[5-methyl-5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-2,9-diazaspiro[3.6]decane
CID 167290933
4-[(3-Tert-butylazetidin-1-yl)methyl]-3-(4-tert-butyl-4-methylpiperidin-1-yl)-1-[5-[3-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]-3-(1-tert-butylpyrrolidin-3-yl)piperidine
CID 170391936

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine (CID 167595611) is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine is CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.
What is the InChIKey of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine?
The InChIKey is JAFIBDZWPJZAOZ-ZPUJASNBSA-N. The full InChI is InChI=1S/2C12H24N2.C12H26N2.C11H24N2/c1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)12-6-7-13(10(3)4)11(5)8-12/h10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;9-11H,6-8H2,1-5H3/t;;;11-/m...0/s1.
What are the key properties of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine?
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine has a molecular weight of 775.36 g/mol, XLogP of 7.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 167595611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).