4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine

C148H293F2N25O8 — CID 160619651

IUPAC4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC(C)N1CCC(C)(CN2CC(C)(O)C2)CC1.CC(C)N1CCC(C)(CN2CCC(F)(F)C2)CC1.CC(C)N1CCC(C)(CN2CCC2)CC1.CC(C)N1CCC(C)(CN2CCCC2)CC1.CC(C)N1CCC(C)(CN2CCOCC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNCCO2)CC1.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1.CCN1CCOC(CC(=O)NC2(C)CCN(C(C)C)CC2)C1.COCCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2.C17H35N3O.C16H33N3.C15H29N3O2.C14H26F2N2.C14H27N3O.2C14H28N2O.C14H28N2.C13H26N2/c1-5-19-10-11-22-15(13-19)12-16(21)18-17(4)6-8-20(9-7-17)14(2)3;1-16(2)20-7-5-17(3,6-8-20)15-19-11-9-18(10-12-19)13-14-21-4;1-5-17-10-12-18(13-11-17)14-16(4)6-8-19(9-7-16)15(2)3;1-12(2)18-7-4-15(3,5-8-18)17-14(19)10-13-11-16-6-9-20-13;1-12(2)18-8-4-13(3,5-9-18)10-17-7-6-14(15,16)11-17;1-11(2)17-6-4-14(3,5-7-17)16-13(18)8-12-9-15-10-12;1-12(2)16-7-5-13(3,6-8-16)9-15-10-14(4,17)11-15;1-13(2)16-6-4-14(3,5-7-16)12-15-8-10-17-11-9-15;1-13(2)16-10-6-14(3,7-11-16)12-15-8-4-5-9-15;1-12(2)15-9-5-13(3,6-10-15)11-14-7-4-8-14/h14-15H,5-13H2,1-4H3,(H,18,21);16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;12-13,16H,4-11H2,1-3H3,(H,17,19);12H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3,(H,16,18);12,17H,5-11H2,1-4H3;13H,4-12H2,1-3H3;13H,4-12H2,1-3H3;12H,4-11H2,1-3H3
InChIKeyRGNRBXHPBAZIPR-UHFFFAOYSA-N
MW2589.13 g/mol
LogP18.12
Rot. Bonds38

About 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine

4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 160619651) has the molecular formula C148H293F2N25O8 and a molecular weight of 2589.13 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID160619651
Molecular FormulaC148H293F2N25O8
Molecular Weight2589.13 g/mol
Exact Mass2587.33
IUPAC Name4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC(C)N1CCC(C)(CN2CC(C)(O)C2)CC1.CC(C)N1CCC(C)(CN2CCC(F)(F)C2)CC1.CC(C)N1CCC(C)(CN2CCC2)CC1.CC(C)N1CCC(C)(CN2CCCC2)CC1.CC(C)N1CCC(C)(CN2CCOCC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNCCO2)CC1.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1.CCN1CCOC(CC(=O)NC2(C)CCN(C(C)C)CC2)C1.COCCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2.C17H35N3O.C16H33N3.C15H29N3O2.C14H26F2N2.C14H27N3O.2C14H28N2O.C14H28N2.C13H26N2/c1-5-19-10-11-22-15(13-19)12-16(21)18-17(4)6-8-20(9-7-17)14(2)3;1-16(2)20-7-5-17(3,6-8-20)15-19-11-9-18(10-12-19)13-14-21-4;1-5-17-10-12-18(13-11-17)14-16(4)6-8-19(9-7-16)15(2)3;1-12(2)18-7-4-15(3,5-8-18)17-14(19)10-13-11-16-6-9-20-13;1-12(2)18-8-4-13(3,5-9-18)10-17-7-6-14(15,16)11-17;1-11(2)17-6-4-14(3,5-7-17)16-13(18)8-12-9-15-10-12;1-12(2)16-7-5-13(3,6-8-16)9-15-10-14(4,17)11-15;1-13(2)16-6-4-14(3,5-7-16)12-15-8-10-17-11-9-15;1-13(2)16-10-6-14(3,7-11-16)12-15-8-4-5-9-15;1-12(2)15-9-5-13(3,6-10-15)11-14-7-4-8-14/h14-15H,5-13H2,1-4H3,(H,18,21);16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;12-13,16H,4-11H2,1-3H3,(H,17,19);12H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3,(H,16,18);12,17H,5-11H2,1-4H3;13H,4-12H2,1-3H3;13H,4-12H2,1-3H3;12H,4-11H2,1-3H3
InChIKeyRGNRBXHPBAZIPR-UHFFFAOYSA-N
XLogP18.12
TPSA233.31 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.13
LogP ≤ 518.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;2-[[3-hydroxy-1-(2-methylpropyl)azetidin-3-yl]methyl-methylamino]-2-methylpropanamide;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);1-[1-(2-methylpropyl)azetidin-3-yl]azetidin-3-ol;1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-3-ol;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-4-ol;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidine;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidin-3-ol;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 157748653
N,N-dimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;2,2-dimethyl-4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;(3-hydroxyazetidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;2-methyl-2-[methyl-[1-(2-methylpropyl)azetidin-3-yl]amino]propanamide;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);N-methyl-1-(2-methylpropyl)-N-(oxetan-3-yl)azetidin-3-amine;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine;N,N,3-trimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;trimethyl-[1-(2-methylpropyl)piperidin-4-yl]azanium
CID 158227845
1-tert-butyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;2,2-dimethyl-4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;(3-hydroxyazetidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;2-methyl-2-[methyl-[1-(2-methylpropyl)azetidin-3-yl]amino]propanamide;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);N-methyl-1-(2-methylpropyl)-N-(oxetan-3-yl)azetidin-3-amine;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine;N,N,3-trimethyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 158397394
4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;1-tert-butyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;(3-hydroxyazetidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine;N,N,3-trimethyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 160153796
4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;N,N-dimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;(3-hydroxyazetidin-1-yl)-[1-(2-methylpropyl)azetidin-3-yl]methanone;2-[[3-hydroxy-1-(2-methylpropyl)azetidin-3-yl]methyl-methylamino]-2-methylpropanamide;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);1-[1-(2-methylpropyl)azetidin-3-yl]azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]piperazin-2-one;1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-3-ol;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-4-ol;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidine;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidin-3-ol;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 160817504
CID 161090390
CID 161090390
4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;N,N-dimethyl-1-(2-methylpropyl)azetidine-3-carboxamide;2-[[3-hydroxy-1-(2-methylpropyl)azetidin-3-yl]methyl-methylamino]-2-methylpropanamide;bis(7-methyl-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-6-one);1-[1-(2-methylpropyl)azetidin-3-yl]azetidin-3-ol;1-[1-(2-methylpropyl)azetidin-3-yl]piperidine;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-3-ol;1-[1-(2-methylpropyl)azetidin-3-yl]piperidin-4-ol;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidine;1-[1-(2-methylpropyl)azetidin-3-yl]pyrrolidin-3-ol;2-(2-methylpropyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 161653363
4-(azetidin-1-ylmethyl)-1-methylpiperidine;1,3-dimethylazetidin-3-ol;N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-ethoxy-1-methylpiperidine;1-ethyl-4-methylpiperidine;4-fluoro-1-methylpiperidine;4-(3-fluoropyrrolidin-1-yl)-1-methylpiperidine;methane;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl)methanol;1-methyl-4-pyrrolidin-1-ylpiperidine;N,N,1-trimethylpiperidin-4-amine;N,N,1-trimethylpyrrolidin-3-amine
CID 157968030

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine (CID 160619651) is 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine is CC(C)N1CCC(C)(CN2CC(C)(O)C2)CC1.CC(C)N1CCC(C)(CN2CCC(F)(F)C2)CC1.CC(C)N1CCC(C)(CN2CCC2)CC1.CC(C)N1CCC(C)(CN2CCCC2)CC1.CC(C)N1CCC(C)(CN2CCOCC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNC2)CC1.CC(C)N1CCC(C)(NC(=O)CC2CNCCO2)CC1.CCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1.CCN1CCOC(CC(=O)NC2(C)CCN(C(C)C)CC2)C1.COCCN1CCN(CC2(C)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is RGNRBXHPBAZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.C17H35N3O.C16H33N3.C15H29N3O2.C14H26F2N2.C14H27N3O.2C14H28N2O.C14H28N2.C13H26N2/c1-5-19-10-11-22-15(13-19)12-16(21)18-17(4)6-8-20(9-7-17)14(2)3;1-16(2)20-7-5-17(3,6-8-20)15-19-11-9-18(10-12-19)13-14-21-4;1-5-17-10-12-18(13-11-17)14-16(4)6-8-19(9-7-16)15(2)3;1-12(2)18-7-4-15(3,5-8-18)17-14(19)10-13-11-16-6-9-20-13;1-12(2)18-8-4-13(3,5-9-18)10-17-7-6-14(15,16)11-17;1-11(2)17-6-4-14(3,5-7-17)16-13(18)8-12-9-15-10-12;1-12(2)16-7-5-13(3,6-8-16)9-15-10-14(4,17)11-15;1-13(2)16-6-4-14(3,5-7-16)12-15-8-10-17-11-9-15;1-13(2)16-10-6-14(3,7-11-16)12-15-8-4-5-9-15;1-12(2)15-9-5-13(3,6-10-15)11-14-7-4-8-14/h14-15H,5-13H2,1-4H3,(H,18,21);16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;12-13,16H,4-11H2,1-3H3,(H,17,19);12H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3,(H,16,18);12,17H,5-11H2,1-4H3;13H,4-12H2,1-3H3;13H,4-12H2,1-3H3;12H,4-11H2,1-3H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine?
4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 2589.13 g/mol, XLogP of 18.12, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-4-methyl-1-propan-2-ylpiperidine;2-(azetidin-3-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine;1-ethyl-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;2-(4-ethylmorpholin-2-yl)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-(2-methoxyethyl)-4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine;3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-ol;4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]morpholine;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-morpholin-2-ylacetamide;4-methyl-1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 160619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).