(3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine

C149H264FN19O2 — CID 159792497

About (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine

(3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine (PubChem CID 159792497) has the molecular formula C149H264FN19O2 and a molecular weight of 2372.88 g/mol. Its IUPAC name is (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine.

Molecular Properties

• Compound Name: (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
• PubChem CID: 159792497
• Molecular Formula: C149H264FN19O2
• Molecular Weight: 2372.88 g/mol
• Exact Mass: 2371.11
• IUPAC Name: (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
• SMILES: C[C@@H]1CN(CCNc2ccc(C(C)(C)C)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@H](C)N1C(=O)C(C)(C)C.C[C@@H]1C[C@H](C)CN(C2CC3CCC(C2)N3C(C)(C)C)C1.C[C@@H]1C[C@H](C)CN(C2CCN(C(C)(C)C)C2)C1.C[C@@H]1C[C@H](C)CN(C2CCN(C(C)(C)C)CC2)C1.C[C@@H]1C[C@H](C)CN(C2CN(C(C)(C)C)C2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)c(F)c2)C1.C[C@@H]1C[C@H](C)CN(c2cnc(C(C)(C)C)cn2)C1.C[C@@H]1C[C@H](C)CN(c2ncc(C(C)(C)C)cn2)C1
• InChI: InChI=1S/C21H34N2O.C18H30N2O.C18H34N2.C17H26FN.C16H32N2.2C15H25N3.C15H30N2.C14H28N2/c1-15-13-22(14-16(2)23(15)19(24)21(6,7)8)18-11-9-17(10-12-18)20(3,4)5;1-14-12-20(13-15(2)21-14)11-10-19-17-8-6-16(7-9-17)18(3,4)5;1-13-8-14(2)12-19(11-13)17-9-15-6-7-16(10-17)20(15)18(3,4)5;1-12-8-13(2)11-19(10-12)14-6-7-15(16(18)9-14)17(3,4)5;1-13-10-14(2)12-17(11-13)15-6-8-18(9-7-15)16(3,4)5;1-11-6-12(2)10-18(9-11)14-8-16-13(7-17-14)15(3,4)5;1-11-6-12(2)10-18(9-11)14-16-7-13(8-17-14)15(3,4)5;1-12-8-13(2)10-16(9-12)14-6-7-17(11-14)15(3,4)5;1-11-6-12(2)8-15(7-11)13-9-16(10-13)14(3,4)5/h9-12,15-16H,13-14H2,1-8H3;6-9,14-15,19H,10-13H2,1-5H3;13-17H,6-12H2,1-5H3;6-7,9,12-13H,8,10-11H2,1-5H3;13-15H,6-12H2,1-5H3;2*7-8,11-12H,6,9-10H2,1-5H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3/t15-,16+;14-,15+;13-,14+,15?,16?,17?;12-,13+;13-,14+;2*11-,12+;12-,13+,14?;11-,12+
• InChIKey: NISWHJCNTQBCCV-DOYUJZETSA-N
• XLogP: 31.35
• TPSA: 135.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2372.88
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?

The IUPAC name of (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine (CID 159792497) is (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine.

What is the SMILES notation for (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?

The canonical SMILES for (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine is C[C@@H]1CN(CCNc2ccc(C(C)(C)C)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@H](C)N1C(=O)C(C)(C)C.C[C@@H]1C[C@H](C)CN(C2CC3CCC(C2)N3C(C)(C)C)C1.C[C@@H]1C[C@H](C)CN(C2CCN(C(C)(C)C)C2)C1.C[C@@H]1C[C@H](C)CN(C2CCN(C(C)(C)C)CC2)C1.C[C@@H]1C[C@H](C)CN(C2CN(C(C)(C)C)C2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)c(F)c2)C1.C[C@@H]1C[C@H](C)CN(c2cnc(C(C)(C)C)cn2)C1.C[C@@H]1C[C@H](C)CN(c2ncc(C(C)(C)C)cn2)C1.

What is the InChIKey of (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?

The InChIKey is NISWHJCNTQBCCV-DOYUJZETSA-N. The full InChI is InChI=1S/C21H34N2O.C18H30N2O.C18H34N2.C17H26FN.C16H32N2.2C15H25N3.C15H30N2.C14H28N2/c1-15-13-22(14-16(2)23(15)19(24)21(6,7)8)18-11-9-17(10-12-18)20(3,4)5;1-14-12-20(13-15(2)21-14)11-10-19-17-8-6-16(7-9-17)18(3,4)5;1-13-8-14(2)12-19(11-13)17-9-15-6-7-16(10-17)20(15)18(3,4)5;1-12-8-13(2)11-19(10-12)14-6-7-15(16(18)9-14)17(3,4)5;1-13-10-14(2)12-17(11-13)15-6-8-18(9-7-15)16(3,4)5;1-11-6-12(2)10-18(9-11)14-8-16-13(7-17-14)15(3,4)5;1-11-6-12(2)10-18(9-11)14-16-7-13(8-17-14)15(3,4)5;1-12-8-13(2)10-16(9-12)14-6-7-17(11-14)15(3,4)5;1-11-6-12(2)8-15(7-11)13-9-16(10-13)14(3,4)5/h9-12,15-16H,13-14H2,1-8H3;6-9,14-15,19H,10-13H2,1-5H3;13-17H,6-12H2,1-5H3;6-7,9,12-13H,8,10-11H2,1-5H3;13-15H,6-12H2,1-5H3;2*7-8,11-12H,6,9-10H2,1-5H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3/t15-,16+;14-,15+;13-,14+,15?,16?,17?;12-,13+;13-,14+;2*11-,12+;12-,13+,14?;11-,12+.

What are the key properties of (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?

(3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine has a molecular weight of 2372.88 g/mol, XLogP of 31.35, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-1-(1-tert-butylazetidin-3-yl)-3,5-dimethylpiperidine;4-tert-butyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline;8-tert-butyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-azabicyclo[3.2.1]octane;2-tert-butyl-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazine;5-tert-butyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidine;(3S,5R)-1-(4-tert-butyl-3-fluorophenyl)-3,5-dimethylpiperidine;1-[(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;(3S,5R)-1-(1-tert-butylpiperidin-4-yl)-3,5-dimethylpiperidine;(3S,5R)-1-(1-tert-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine is sourced from PubChem (CID 159792497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).