tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine

C161H324N28O5 — CID 158102417

IUPACtert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(C)(CN)C1.CC(C)N1CCC(C)(CN2CC(N(C)C)C2)CC1.CC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3C(=O)OC(C)(C)C)CC1.CC(C)N1CCC(C)(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1.CC(C)N1CCC(C)(COCCN(C)C)CC1.CC1CN(CC2(C)CCN(C(C)C)CC2)CCN1C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1(C)C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C21H41N3O2.C20H37N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C14H30N2O.C9H20N2/c1-17(2)23-11-9-21(8,10-12-23)16-22-13-14-24(20(6,7)15-22)18(25)26-19(3,4)5;1-15(2)22-9-7-20(6,8-10-22)14-21-12-16-11-17(13-21)23(16)18(24)25-19(3,4)5;1-7-21-13-12-19(14-17(21,4)5)15-18(6)8-10-20(11-9-18)16(2)3;1-6-19-12-11-18(13-16(19)4)14-17(5)7-9-20(10-8-17)15(2)3;1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16;1-14(2)19-8-6-16(4,7-9-19)13-18-11-10-17(5)15(3)12-18;1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13;1-13(2)18-8-6-15(3,7-9-18)12-17-10-14(11-17)16(4)5;1-13(2)16-8-6-14(3,7-9-16)12-17-11-10-15(4)5;1-8(2)11-5-4-9(3,6-10)7-11/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16H,7-15H2,1-6H3;15-16H,6-14H2,1-5H3;14H,5-13H2,1-4H3;14-15H,6-13H2,1-5H3;12-14,16H,4-11H2,1-3H3;13-14H,6-12H2,1-5H3;13H,6-12H2,1-5H3;8H,4-7,10H2,1-3H3
InChIKeyFPKSIRQEQVAIHE-UHFFFAOYSA-N
MW2732.55 g/mol
LogP22.76
Rot. Bonds35

About tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine

tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 158102417) has the molecular formula C161H324N28O5 and a molecular weight of 2732.55 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID158102417
Molecular FormulaC161H324N28O5
Molecular Weight2732.55 g/mol
Exact Mass2730.60
IUPAC Nametert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(C)(CN)C1.CC(C)N1CCC(C)(CN2CC(N(C)C)C2)CC1.CC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3C(=O)OC(C)(C)C)CC1.CC(C)N1CCC(C)(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1.CC(C)N1CCC(C)(COCCN(C)C)CC1.CC1CN(CC2(C)CCN(C(C)C)CC2)CCN1C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1(C)C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C21H41N3O2.C20H37N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C14H30N2O.C9H20N2/c1-17(2)23-11-9-21(8,10-12-23)16-22-13-14-24(20(6,7)15-22)18(25)26-19(3,4)5;1-15(2)22-9-7-20(6,8-10-22)14-21-12-16-11-17(13-21)23(16)18(24)25-19(3,4)5;1-7-21-13-12-19(14-17(21,4)5)15-18(6)8-10-20(11-9-18)16(2)3;1-6-19-12-11-18(13-16(19)4)14-17(5)7-9-20(10-8-17)15(2)3;1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16;1-14(2)19-8-6-16(4,7-9-19)13-18-11-10-17(5)15(3)12-18;1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13;1-13(2)18-8-6-15(3,7-9-18)12-17-10-14(11-17)16(4)5;1-13(2)16-8-6-14(3,7-9-16)12-17-11-10-15(4)5;1-8(2)11-5-4-9(3,6-10)7-11/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16H,7-15H2,1-6H3;15-16H,6-14H2,1-5H3;14H,5-13H2,1-4H3;14-15H,6-13H2,1-5H3;12-14,16H,4-11H2,1-3H3;13-14H,6-12H2,1-5H3;13H,6-12H2,1-5H3;8H,4-7,10H2,1-3H3
InChIKeyFPKSIRQEQVAIHE-UHFFFAOYSA-N
XLogP22.76
TPSA184.12 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002732.55
LogP ≤ 522.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;1,3-di(propan-2-yl)piperidin-3-ol;3-ethoxy-1,3-di(propan-2-yl)piperidine;1-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;3-methoxy-1,3-di(propan-2-yl)piperidine;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-methyl-2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propanamide;1-methyl-3-propan-2-ylpiperidin-3-ol;3-propan-2-ylazetidine;2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 157150176
tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine
CID 158448226
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 158596499
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
CID 159133442

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 158102417) is tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(C)(CN)C1.CC(C)N1CCC(C)(CN2CC(N(C)C)C2)CC1.CC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1.CC(C)N1CCC(C)(CN2CC3CC(C2)N3C(=O)OC(C)(C)C)CC1.CC(C)N1CCC(C)(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1.CC(C)N1CCC(C)(COCCN(C)C)CC1.CC1CN(CC2(C)CCN(C(C)C)CC2)CCN1C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1(C)C.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is FPKSIRQEQVAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2.C20H37N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C14H30N2O.C9H20N2/c1-17(2)23-11-9-21(8,10-12-23)16-22-13-14-24(20(6,7)15-22)18(25)26-19(3,4)5;1-15(2)22-9-7-20(6,8-10-22)14-21-12-16-11-17(13-21)23(16)18(24)25-19(3,4)5;1-7-21-13-12-19(14-17(21,4)5)15-18(6)8-10-20(11-9-18)16(2)3;1-6-19-12-11-18(13-16(19)4)14-17(5)7-9-20(10-8-17)15(2)3;1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16;1-14(2)19-8-6-16(4,7-9-19)13-18-11-10-17(5)15(3)12-18;1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13;1-13(2)18-8-6-15(3,7-9-18)12-17-10-14(11-17)16(4)5;1-13(2)16-8-6-14(3,7-9-16)12-17-11-10-15(4)5;1-8(2)11-5-4-9(3,6-10)7-11/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16H,7-15H2,1-6H3;15-16H,6-14H2,1-5H3;14H,5-13H2,1-4H3;14-15H,6-13H2,1-5H3;12-14,16H,4-11H2,1-3H3;13-14H,6-12H2,1-5H3;13H,6-12H2,1-5H3;8H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine?
tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 2732.55 g/mol, XLogP of 22.76, 35 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine-1-carboxylate;tert-butyl 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;N,N-dimethyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methoxy]ethanamine;N,N-dimethyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine;1,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2,2-dimethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-ethyl-2-methyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 158102417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).