1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine

C66H139N7 — CID 158109596

IUPAC1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
SMILESCC(C)N1CC(C)N(C(C)(C)C)C(C)C1.CC(C)N1CCC(C(C)C)(C(C)C)C1.CC(C)N1CCC(C(C)C)(C(C)C)CC1.CC(C)N1CCCC(C(C)C)(C(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N.C14H29N.C13H28N2.C13H27N.C11H24N2/c1-12(2)15(13(3)4)8-7-10-16(11-9-15)14(5)6;1-11(2)14(12(3)4)7-9-15(10-8-14)13(5)6;1-10(2)14-8-11(3)15(12(4)9-14)13(5,6)7;1-10(2)13(11(3)4)7-8-14(9-13)12(5)6;1-10(2)12-6-8-13(9-7-12)11(3,4)5/h12-14H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;10-12H,8-9H2,1-7H3;10-12H,7-9H2,1-6H3;10H,6-9H2,1-5H3
InChIKeyFQGLAPSSFDSQMW-UHFFFAOYSA-N
MW1030.89 g/mol
LogP15.77
Rot. Bonds11

About 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine

1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine (PubChem CID 158109596) has the molecular formula C66H139N7 and a molecular weight of 1030.89 g/mol. Its IUPAC name is 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
PubChem CID158109596
Molecular FormulaC66H139N7
Molecular Weight1030.89 g/mol
Exact Mass1030.11
IUPAC Name1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine
SMILESCC(C)N1CC(C)N(C(C)(C)C)C(C)C1.CC(C)N1CCC(C(C)C)(C(C)C)C1.CC(C)N1CCC(C(C)C)(C(C)C)CC1.CC(C)N1CCCC(C(C)C)(C(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H31N.C14H29N.C13H28N2.C13H27N.C11H24N2/c1-12(2)15(13(3)4)8-7-10-16(11-9-15)14(5)6;1-11(2)14(12(3)4)7-9-15(10-8-14)13(5)6;1-10(2)14-8-11(3)15(12(4)9-14)13(5,6)7;1-10(2)13(11(3)4)7-8-14(9-13)12(5)6;1-10(2)12-6-8-13(9-7-12)11(3,4)5/h12-14H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;10-12H,8-9H2,1-7H3;10-12H,7-9H2,1-6H3;10H,6-9H2,1-5H3
InChIKeyFQGLAPSSFDSQMW-UHFFFAOYSA-N
XLogP15.77
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.89
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-[2-[(3R,4S)-1-[2-[(3R,4R)-1,4-dimethylpiperidin-3-yl]ethyl]-4,5,5-trimethylpiperidin-3-yl]ethyl]-1,2-dimethylpiperazine
CID 134603103
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
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
9-Methyl-3-[2-methyl-3-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]piperidin-4-yl]propyl]-3,9-diazaspiro[5.5]undecane
CID 156188279
3,6-Ditert-butyl-3-azabicyclo[3.1.0]hexane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
CID 157734584
4-Tert-butylazepane;1-tert-butylpiperazine;3-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butylpyrrolidine;ethane
CID 157902238
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 157930992
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
1,4-Ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 159113867
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane
CID 159151652
3,8-Di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 159274253
1,4-Ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine
CID 159656736

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine?
The IUPAC name of 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine (CID 158109596) is 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine is CC(C)N1CC(C)N(C(C)(C)C)C(C)C1.CC(C)N1CCC(C(C)C)(C(C)C)C1.CC(C)N1CCC(C(C)C)(C(C)C)CC1.CC(C)N1CCCC(C(C)C)(C(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine?
The InChIKey is FQGLAPSSFDSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C14H29N.C13H28N2.C13H27N.C11H24N2/c1-12(2)15(13(3)4)8-7-10-16(11-9-15)14(5)6;1-11(2)14(12(3)4)7-9-15(10-8-14)13(5)6;1-10(2)14-8-11(3)15(12(4)9-14)13(5,6)7;1-10(2)13(11(3)4)7-8-14(9-13)12(5)6;1-10(2)12-6-8-13(9-7-12)11(3,4)5/h12-14H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;10-12H,8-9H2,1-7H3;10-12H,7-9H2,1-6H3;10H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine?
1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine has a molecular weight of 1030.89 g/mol, XLogP of 15.77, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,6-dimethyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4,4-tri(propan-2-yl)azepane;1,4,4-tri(propan-2-yl)piperidine;1,3,3-tri(propan-2-yl)pyrrolidine is sourced from PubChem (CID 158109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).