bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

C69H138N8 — CID 158149543

IUPACbis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C18H36N2.3C17H34N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h7-15H2,1-6H3;7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3
InChIKeyFUXWCAKOMFGCDD-UHFFFAOYSA-N
MW1079.92 g/mol
LogP14.72
Rot. Bonds5

About bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane

bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (PubChem CID 158149543) has the molecular formula C69H138N8 and a molecular weight of 1079.92 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Namebis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
PubChem CID158149543
Molecular FormulaC69H138N8
Molecular Weight1079.92 g/mol
Exact Mass1079.10
IUPAC Namebis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C18H36N2.3C17H34N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h7-15H2,1-6H3;7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3
InChIKeyFUXWCAKOMFGCDD-UHFFFAOYSA-N
XLogP14.72
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.92
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

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
1-(3-Methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 157260003
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
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-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-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
(2S,4S)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2R,4R)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2S,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,5S)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S,5R)-3,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R)-2-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S)-3-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(4R)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 158816505
2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;bis(2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3R)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3S)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);(3R)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;(3S)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 159401765
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane
CID 159633091
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 160063488
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;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;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine
CID 160334265
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 161140416
(2S,4S)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2R,4R)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2S,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,5S)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R,6S)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S,5R)-3,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpiperidine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R)-2-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S)-3-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(4S)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis((4R)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 161158987
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;4-tert-butyl-1-[2-(1-tert-butylazetidin-3-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 161168269

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane (CID 158149543) is bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.
What is the InChIKey of bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is FUXWCAKOMFGCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.3C17H34N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;2*1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h7-15H2,1-6H3;7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3.
What are the key properties of bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane?
bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 1079.92 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 158149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).