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;methane

C83H203N7 — CID 161210846

IUPAC1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2.2C13H27N.C12H26N2.C12H25N.5C2H6.10CH4/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;5*1-2;;;;;;;;;;/h7-11H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;5*1-2H3;10*1H4
InChIKeyUWFCLQQAXILKAF-UHFFFAOYSA-N
MW1299.59 g/mol
LogP26.38
Rot. Bonds1

About 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;methane

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;methane (PubChem CID 161210846) has the molecular formula C83H203N7 and a molecular weight of 1299.59 g/mol. Its IUPAC name is 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;methane.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane;methane
PubChem CID161210846
Molecular FormulaC83H203N7
Molecular Weight1299.59 g/mol
Exact Mass1298.61
IUPAC Name1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2.2C13H27N.C12H26N2.C12H25N.5C2H6.10CH4/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;5*1-2;;;;;;;;;;/h7-11H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;5*1-2H3;10*1H4
InChIKeyUWFCLQQAXILKAF-UHFFFAOYSA-N
XLogP26.38
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.59
LogP ≤ 526.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,2,6,6-Pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691670
1-tert-butyl-4-[1-[5-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]piperazine
CID 134339698
1-tert-butyl-4-[1-[4-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,4-trimethylpentyl]piperidin-4-yl]piperazine
CID 134582770
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
1,2,2,6,6-Pentamethyl-4-[2,3,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 140410175
1-[2,4-Dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]-4-(2,3,3-trimethylpentan-2-yl)piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;2-methylpropane
CID 153398691
1-(4,4-Dimethylhexan-2-yl)-4-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine;1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane
CID 153544209
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
9-[5-(7-Tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane
CID 156551133
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
1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane
CID 157124239
1-Tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2,2-dimethylpropyl)piperazine;bis(1-tert-butyl-4-(piperidin-1-ylmethyl)piperidine);ethane
CID 157362860

Frequently Asked Questions

What is the IUPAC name of 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;methane?
The IUPAC name of 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;methane (CID 161210846) is 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;methane.
What is the SMILES notation for 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;methane?
The canonical SMILES for 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;methane is C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 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;methane?
The InChIKey is UWFCLQQAXILKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C13H27N.C12H26N2.C12H25N.5C2H6.10CH4/c1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;5*1-2;;;;;;;;;;/h7-11H2,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;5*1-2H3;10*1H4.
What are the key properties of 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;methane?
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;methane has a molecular weight of 1299.59 g/mol, XLogP of 26.38, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methane is sourced from PubChem (CID 161210846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).