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

C173H343N29O7 — CID 158448226

IUPACtert-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
SMILESCC(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)(CN2CCN(C(=O)OC(C)(C)C)CC2C)CC1.CC(C)N1CCC(C)(CN2CCNCC2C)CC1.CC(C)N1CCC(C)(CNC2CCOCC2)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.C20H39N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C15H30N2O/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;1-16(2)21-10-8-20(7,9-11-21)15-23-13-12-22(14-17(23)3)18(24)25-19(4,5)6;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)17-8-5-15(4,6-9-17)12-18-10-7-16-11-14(18)3;1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16-17H,8-15H2,1-7H3;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;13-14,16H,5-12H2,1-4H3;13-14,16H,4-12H2,1-3H3
InChIKeyHDQPVYNKIWSQKF-UHFFFAOYSA-N
MW2941.84 g/mol
LogP25.37
Rot. Bonds33

About 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

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 (PubChem CID 158448226) has the molecular formula C173H343N29O7 and a molecular weight of 2941.84 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-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.

Molecular Properties

Compound Nametert-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
PubChem CID158448226
Molecular FormulaC173H343N29O7
Molecular Weight2941.84 g/mol
Exact Mass2939.74
IUPAC Nametert-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
SMILESCC(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)(CN2CCN(C(=O)OC(C)(C)C)CC2C)CC1.CC(C)N1CCC(C)(CN2CCNCC2C)CC1.CC(C)N1CCC(C)(CNC2CCOCC2)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.C20H39N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C15H30N2O/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;1-16(2)21-10-8-20(7,9-11-21)15-23-13-12-22(14-17(23)3)18(24)25-19(4,5)6;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)17-8-5-15(4,6-9-17)12-18-10-7-16-11-14(18)3;1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16-17H,8-15H2,1-7H3;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;13-14,16H,5-12H2,1-4H3;13-14,16H,4-12H2,1-3H3
InChIKeyHDQPVYNKIWSQKF-UHFFFAOYSA-N
XLogP25.37
TPSA208.46 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.84
LogP ≤ 525.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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-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 with MolForge

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Launch Full Analysis

Related Compounds

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

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-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?
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-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) is 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.
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-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?
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-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 is 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)(CN2CCN(C(=O)OC(C)(C)C)CC2C)CC1.CC(C)N1CCC(C)(CN2CCNCC2C)CC1.CC(C)N1CCC(C)(CNC2CCOCC2)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-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?
The InChIKey is HDQPVYNKIWSQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2.C20H37N3O2.C20H39N3O2.C18H37N3.C17H35N3.C16H31N3.C16H33N3.C15H29N3.C15H31N3.C15H30N2O/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;1-16(2)21-10-8-20(7,9-11-21)15-23-13-12-22(14-17(23)3)18(24)25-19(4,5)6;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)17-8-5-15(4,6-9-17)12-18-10-7-16-11-14(18)3;1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h17H,9-16H2,1-8H3;15-17H,7-14H2,1-6H3;16-17H,8-15H2,1-7H3;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;13-14,16H,5-12H2,1-4H3;13-14,16H,4-12H2,1-3H3.
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-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?
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 has a molecular weight of 2941.84 g/mol, XLogP of 25.37, 33 rotatable bonds, 3 hydrogen bond donors, and 33 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-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 is sourced from PubChem (CID 158448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).