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

C101H206N14 — CID 161168269

IUPAC1-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
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H37N3.2C18H36N2.2C17H35N3.C13H27N/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-17(2,3)16-8-11-19(12-9-16)10-7-15-13-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;2*15-16H,7-14H2,1-6H3;2*15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;15-;;15-;;/m01.1../s1
InChIKeyUQVNALSTRXQDTN-ZPYAHKCOSA-N
MW1616.86 g/mol
LogP19.23
Rot. Bonds12

About 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

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 (PubChem CID 161168269) has the molecular formula C101H206N14 and a molecular weight of 1616.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161168269
Molecular FormulaC101H206N14
Molecular Weight1616.86 g/mol
Exact Mass1615.65
IUPAC Name1-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
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H37N3.2C18H36N2.2C17H35N3.C13H27N/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-17(2,3)16-8-11-19(12-9-16)10-7-15-13-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;2*15-16H,7-14H2,1-6H3;2*15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;15-;;15-;;/m01.1../s1
InChIKeyUQVNALSTRXQDTN-ZPYAHKCOSA-N
XLogP19.23
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.86
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

Bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 164981437
1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane
CID 157217147
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
1,4-Dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
CID 157252650
2-Methyl-7-propan-2-yl-7-azaspiro[3.5]nonane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 157345444
(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine
CID 157457548
CID 157797983
CID 157797983
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
CID 158043701
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
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 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?
The InChIKey is UQVNALSTRXQDTN-ZPYAHKCOSA-N. The full InChI is InChI=1S/C18H37N3.2C18H36N2.2C17H35N3.C13H27N/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-17(2,3)16-8-11-19(12-9-16)10-7-15-13-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;2*15-16H,7-14H2,1-6H3;2*15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t16-;15-;;15-;;/m01.1../s1.
What are the key properties of 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?
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 has a molecular weight of 1616.86 g/mol, XLogP of 19.23, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161168269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).