1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine

C116H229F2N15O5 — CID 159429885

IUPAC1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(C)CC2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CCN(C(C)C)CC2)C(C)C)C1.CCN(CC1CCN(C(C)C)CC1)C1CC(OC(C)C)C1
InChIInChI=1S/C19H38N2O.C18H37N3.C18H36N2O.C17H34N2O.C16H27N3O.C14H28F2O.C14H29N3/c1-14(2)20-9-7-17(8-10-20)13-21(15(3)4)18-11-19(12-18)22-16(5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-6-19(17-11-18(12-17)21-15(4)5)13-16-7-9-20(10-8-16)14(2)3;1-13(2)19-8-6-15(7-9-19)12-18(5)16-10-17(11-16)20-14(3)4;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4/h14-19H,7-13H2,1-6H3;16H,7-15H2,1-6H3;14-18H,6-13H2,1-5H3;13-17H,6-12H2,1-5H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3;12-14H,5-11H2,1-4H3
InChIKeyLQVSIDBEVNMKHO-UHFFFAOYSA-N
MW1952.20 g/mol
LogP22.53
Rot. Bonds35

About 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine

1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 159429885) has the molecular formula C116H229F2N15O5 and a molecular weight of 1952.20 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
PubChem CID159429885
Molecular FormulaC116H229F2N15O5
Molecular Weight1952.20 g/mol
Exact Mass1950.81
IUPAC Name1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(C)CC2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CCN(C(C)C)CC2)C(C)C)C1.CCN(CC1CCN(C(C)C)CC1)C1CC(OC(C)C)C1
InChIInChI=1S/C19H38N2O.C18H37N3.C18H36N2O.C17H34N2O.C16H27N3O.C14H28F2O.C14H29N3/c1-14(2)20-9-7-17(8-10-20)13-21(15(3)4)18-11-19(12-18)22-16(5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-6-19(17-11-18(12-17)21-15(4)5)13-16-7-9-20(10-8-16)14(2)3;1-13(2)19-8-6-15(7-9-19)12-18(5)16-10-17(11-16)20-14(3)4;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4/h14-19H,7-13H2,1-6H3;16H,7-15H2,1-6H3;14-18H,6-13H2,1-5H3;13-17H,6-12H2,1-5H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3;12-14H,5-11H2,1-4H3
InChIKeyLQVSIDBEVNMKHO-UHFFFAOYSA-N
XLogP22.53
TPSA122.84 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.20
LogP ≤ 522.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine (CID 159429885) is 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine is CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(C)CC2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CCN(C(C)C)CC2)C(C)C)C1.CCN(CC1CCN(C(C)C)CC1)C1CC(OC(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is LQVSIDBEVNMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O.C18H37N3.C18H36N2O.C17H34N2O.C16H27N3O.C14H28F2O.C14H29N3/c1-14(2)20-9-7-17(8-10-20)13-21(15(3)4)18-11-19(12-18)22-16(5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-6-19(17-11-18(12-17)21-15(4)5)13-16-7-9-20(10-8-16)14(2)3;1-13(2)19-8-6-15(7-9-19)12-18(5)16-10-17(11-16)20-14(3)4;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4/h14-19H,7-13H2,1-6H3;16H,7-15H2,1-6H3;14-18H,6-13H2,1-5H3;13-17H,6-12H2,1-5H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3;12-14H,5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine?
1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 1952.20 g/mol, XLogP of 22.53, 35 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-ethyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;N-methyl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-3-propan-2-yloxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 159429885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).