1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

C97H199N11 — CID 167540083

IUPAC1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C17H34N2.C14H29N.C13H26N2.C13H27N.C12H26N2.C11H23N/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h2*7-14H2,1-6H3;8-11H2,1-7H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyBBJILCGUXXEEIU-UHFFFAOYSA-N
MW1519.74 g/mol
LogP22.16
Rot. Bonds

About 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (PubChem CID 167540083) has the molecular formula C97H199N11 and a molecular weight of 1519.74 g/mol. Its IUPAC name is 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.

Molecular Properties

Compound Name1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
PubChem CID167540083
Molecular FormulaC97H199N11
Molecular Weight1519.74 g/mol
Exact Mass1518.59
IUPAC Name1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C17H34N2.C14H29N.C13H26N2.C13H27N.C12H26N2.C11H23N/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h2*7-14H2,1-6H3;8-11H2,1-7H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyBBJILCGUXXEEIU-UHFFFAOYSA-N
XLogP22.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.74
LogP ≤ 522.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine with MolForge

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Related Compounds

Bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 164989090
5,5-difluoro-7-(2-methylpropyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,2-dimethyl-1-(2-methylpropyl)-4-propan-2-ylpiperazine;(2R,6R)-2,6-dimethyl-1-(2-methylpropyl)-4-propan-2-ylpiperazine;5-methyl-7-(2-methylpropyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-(2-methylpropyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2-(2-methylpropyl)-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;6-(2-methylpropyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;7-(2-methylpropyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine
CID 165015131
Bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 165044151
3,3-Difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
CID 167585174
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)azetidin-3-amine;1,2-di(propan-2-yl)azetidine;bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);3-methyl-1,3-di(propan-2-yl)azetidine
CID 168407421
5,5-Difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-[2-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine;2,6-dimethyl-1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperidine;7-[2-[1-(2-methylpropyl)azetidin-3-yl]propan-2-yl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 168409339
1-Hexadecyl-4-[3-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2-methylpropyl]-1,4-diazoniabicyclo[2.2.2]octane;1-hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane;1-methyl-3-propyl-1,3-diazoniabicyclo[1.1.1]pentane
CID 91297798
6-[(3S)-3-[[4-(4-tert-butylpiperazin-1-yl)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]-1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[5-[4-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptane
CID 134492951
1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-2-[2-[(2R,6S)-1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-6-[[4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidin-3-yl]methyl]piperazin-2-yl]ethyl]-6-methylpiperazine
CID 146548787
6-[(1-tert-butylpiperidin-4-yl)methyl]-2-[4-[(2S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]-2-methylbutan-2-yl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 146549772
2-tert-butyl-6-[(5R)-1-(2,2-dimethylpropyl)-2-[[(2R)-1-(2,2-dimethylpropyl)-4-[2-[5-[4-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]-2,6-diazaspiro[3.3]heptan-6-yl]piperidin-2-yl]methyl]-5-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 156356818
1-[2-(1-tert-butylazetidin-3-yl)ethyl]-4-propan-2-ylpiperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-(1-tert-butylazetidin-3-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-(4,4-dimethylpentyl)-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 157246839

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The IUPAC name of 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (CID 167540083) is 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.
What is the SMILES notation for 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The canonical SMILES for 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The InChIKey is BBJILCGUXXEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H34N2.C14H29N.C13H26N2.C13H27N.C12H26N2.C11H23N/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h2*7-14H2,1-6H3;8-11H2,1-7H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9H,7-8H2,1-6H3.
What are the key properties of 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine has a molecular weight of 1519.74 g/mol, XLogP of 22.16, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 167540083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).