tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride

C128H187ClN14O23 — CID 157069560

About tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride

tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride (PubChem CID 157069560) has the molecular formula C128H187ClN14O23 and a molecular weight of 2325.43 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride
• PubChem CID: 157069560
• Molecular Formula: C128H187ClN14O23
• Molecular Weight: 2325.43 g/mol
• Exact Mass: 2323.36
• IUPAC Name: tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CCCO)CC1.COC(=O)c1ccc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1.Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC1CCNCC1.Cc1cc(C(=O)O)ccc1OCCCC1CCN(C(=O)OC(C)(C)C)CC1.Cl
• InChI: InChI=1S/C32H41N5O4.C27H33N5O2.C22H33NO5.C21H31NO5.C13H23NO4.C13H25NO3.ClH/c1-22-19-24(30(38)37-21-25-20-33-35(5)29(25)34-26-10-6-7-11-27(26)37)12-13-28(22)40-18-8-9-23-14-16-36(17-15-23)31(39)41-32(2,3)4;1-19-16-21(9-10-25(19)34-15-5-6-20-11-13-28-14-12-20)27(33)32-18-22-17-29-31(2)26(22)30-23-7-3-4-8-24(23)32;1-16-15-18(20(24)26-5)8-9-19(16)27-14-6-7-17-10-12-23(13-11-17)21(25)28-22(2,3)4;1-15-14-17(19(23)24)7-8-18(15)26-13-5-6-16-9-11-22(12-10-16)20(25)27-21(2,3)4;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16;1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15;/h6-7,10-13,19-20,23,34H,8-9,14-18,21H2,1-5H3;3-4,7-10,16-17,20,28,30H,5-6,11-15,18H2,1-2H3;8-9,15,17H,6-7,10-14H2,1-5H3;7-8,14,16H,5-6,9-13H2,1-4H3,(H,23,24);10H,4-9H2,1-3H3,(H,15,16);11,15H,4-10H2,1-3H3;1H
• InChIKey: QRSPWPCXOAPMJU-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 418.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.43
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride?

The IUPAC name of tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride (CID 157069560) is tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride.

What is the SMILES notation for tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride?

The canonical SMILES for tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CCCO)CC1.COC(=O)c1ccc(OCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1.Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC1CCNCC1.Cc1cc(C(=O)O)ccc1OCCCC1CCN(C(=O)OC(C)(C)C)CC1.Cl.

What is the InChIKey of tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride?

The InChIKey is QRSPWPCXOAPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O4.C27H33N5O2.C22H33NO5.C21H31NO5.C13H23NO4.C13H25NO3.ClH/c1-22-19-24(30(38)37-21-25-20-33-35(5)29(25)34-26-10-6-7-11-27(26)37)12-13-28(22)40-18-8-9-23-14-16-36(17-15-23)31(39)41-32(2,3)4;1-19-16-21(9-10-25(19)34-15-5-6-20-11-13-28-14-12-20)27(33)32-18-22-17-29-31(2)26(22)30-23-7-3-4-8-24(23)32;1-16-15-18(20(24)26-5)8-9-19(16)27-14-6-7-17-10-12-23(13-11-17)21(25)28-22(2,3)4;1-15-14-17(19(23)24)7-8-18(15)26-13-5-6-16-9-11-22(12-10-16)20(25)27-21(2,3)4;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16;1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15;/h6-7,10-13,19-20,23,34H,8-9,14-18,21H2,1-5H3;3-4,7-10,16-17,20,28,30H,5-6,11-15,18H2,1-2H3;8-9,15,17H,6-7,10-14H2,1-5H3;7-8,14,16H,5-6,9-13H2,1-4H3,(H,23,24);10H,4-9H2,1-3H3,(H,15,16);11,15H,4-10H2,1-3H3;1H.

What are the key properties of tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride?

tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride has a molecular weight of 2325.43 g/mol, XLogP of 25.64, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylate;tert-butyl 4-[3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperidine-1-carboxylate;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone;3-methyl-4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propoxy]benzoic acid;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 157069560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).