Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol

C₁₁₈H₁₂₂Cl₁₂N₁₂O₁₂ — CID 159712330

About Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol

Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol (PubChem CID 159712330) has the molecular formula C₁₁₈H₁₂₂Cl₁₂N₁₂O₁₂ and a molecular weight of 2325.78 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol.

Molecular Properties

• Compound Name: Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol
• PubChem CID: 159712330
• Molecular Formula: C₁₁₈H₁₂₂Cl₁₂N₁₂O₁₂
• Molecular Weight: 2325.78 g/mol
• Exact Mass: 2318.56
• IUPAC Name: tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](O)C(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.O[C@@H]1CCNCC1N1c2ccc(Cl)cc2Cc2cc(Cl)ccc21.O[C@@H]1CCNC[C@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.O[C@H]1CCNC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
• InChI: InChI=1S/3C22H24Cl2N2O3.C18H18Cl2N2O.2C17H16Cl2N2O/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;19-13-1-3-15-11(8-13)7-12-9-14(20)2-4-16(12)22(15)17-10-21-6-5-18(17)23;2*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/h3*4-7,10-11,19-20,27H,8-9,12H2,1-3H3;1-4,8-9,17-18,21,23H,5-7,10H2;2*1-4,7-8,16-17,20,22H,5-6,9H2/t19?,20-;2*19-,20-;17?,18-;2*16-,17-/m110110/s1
• InChIKey: MYZNXWHABHYOEJ-UNBGPBLLSA-N
• XLogP: 28.68
• TPSA: 273.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.78
LogP ≤ 5	28.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol?

The IUPAC name of Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol (CID 159712330) is tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol.

What is the SMILES notation for Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol?

The canonical SMILES for Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol is CC(C)(C)OC(=O)N1CC[C@@H](O)C(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1.O[C@@H]1CCNCC1N1c2ccc(Cl)cc2Cc2cc(Cl)ccc21.O[C@@H]1CCNC[C@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.O[C@H]1CCNC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.

What is the InChIKey of Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol?

The InChIKey is MYZNXWHABHYOEJ-UNBGPBLLSA-N. The full InChI is InChI=1S/3C22H24Cl2N2O3.C18H18Cl2N2O.2C17H16Cl2N2O/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;19-13-1-3-15-11(8-13)7-12-9-14(20)2-4-16(12)22(15)17-10-21-6-5-18(17)23;2*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/h3*4-7,10-11,19-20,27H,8-9,12H2,1-3H3;1-4,8-9,17-18,21,23H,5-7,10H2;2*1-4,7-8,16-17,20,22H,5-6,9H2/t19?,20-;2*19-,20-;17?,18-;2*16-,17-/m110110/s1.

What are the key properties of Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol?

Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol has a molecular weight of 2325.78 g/mol, XLogP of 28.68, 6 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (3R,4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (4R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;(4R)-3-(2,7-dichloro-9H-acridin-10-yl)piperidin-4-ol;(3R,4R)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol;(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)piperidin-4-ol is sourced from PubChem (CID 159712330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159712330 — identifiers, structure, computed properties (public domain)

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