tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol

C127H136F12N12O16 — CID 159447519

About tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol

tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol (PubChem CID 159447519) has the molecular formula C127H136F12N12O16 and a molecular weight of 2314.53 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol
• PubChem CID: 159447519
• Molecular Formula: C127H136F12N12O16
• Molecular Weight: 2314.53 g/mol
• Exact Mass: 2313.00
• IUPAC Name: tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol
• SMILES: CC(C)(C)OC(=O)N1CCC(n2c3ccc(F)cc3c3cc(F)ccc32)[C@H](O)C1.CC(C)(C)OC(=O)N1CCC2OC2C1.CC(C)(C)OC(=O)N1CC[C@@H](O)C(n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.Fc1ccc2[nH]c3ccc(F)cc3c2c1.O[C@@H]1CCNC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21
• InChI: InChI=1S/4C22H24F2N2O3.C17H16F2N2O.C12H7F2N.C10H17NO3/c3*1-22(2,3)29-21(28)25-9-8-20(27)19(12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26;1-22(2,3)29-21(28)25-9-8-19(20(27)12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26;18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)21(14)16-9-20-6-5-17(16)22;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h4*4-7,10-11,19-20,27H,8-9,12H2,1-3H3;1-4,7-8,16-17,20,22H,5-6,9H2;1-6,15H;7-8H,4-6H2,1-3H3/t19?,20-;2*19-,20-;19?,20-;16-,17-;;/m11011../s1
• InChIKey: LSYGEVFNXIRJGA-QQJRJXEXSA-N
• XLogP: 26.42
• TPSA: 313.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 5
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2314.53
LogP ≤ 5	26.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol?

The IUPAC name of tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol (CID 159447519) is tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol.

What is the SMILES notation for tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol?

The canonical SMILES for tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol is CC(C)(C)OC(=O)N1CCC(n2c3ccc(F)cc3c3cc(F)ccc32)[C@H](O)C1.CC(C)(C)OC(=O)N1CCC2OC2C1.CC(C)(C)OC(=O)N1CC[C@@H](O)C(n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.Fc1ccc2[nH]c3ccc(F)cc3c2c1.O[C@@H]1CCNC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21.

What is the InChIKey of tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol?

The InChIKey is LSYGEVFNXIRJGA-QQJRJXEXSA-N. The full InChI is InChI=1S/4C22H24F2N2O3.C17H16F2N2O.C12H7F2N.C10H17NO3/c3*1-22(2,3)29-21(28)25-9-8-20(27)19(12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26;1-22(2,3)29-21(28)25-9-8-19(20(27)12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26;18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)21(14)16-9-20-6-5-17(16)22;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h4*4-7,10-11,19-20,27H,8-9,12H2,1-3H3;1-4,7-8,16-17,20,22H,5-6,9H2;1-6,15H;7-8H,4-6H2,1-3H3/t19?,20-;2*19-,20-;19?,20-;16-,17-;;/m11011../s1.

What are the key properties of tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol?

tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol has a molecular weight of 2314.53 g/mol, XLogP of 26.42, 5 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(3,6-difluorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3,6-difluoro-9H-carbazole;(3R,4R)-3-(3,6-difluorocarbazol-9-yl)piperidin-4-ol is sourced from PubChem (CID 159447519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).