benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine

C121H189BrClN17O17 — CID 158619639

About benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine

benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine (PubChem CID 158619639) has the molecular formula C121H189BrClN17O17 and a molecular weight of 2269.30 g/mol. Its IUPAC name is benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine.

Molecular Properties

• Compound Name: benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine
• PubChem CID: 158619639
• Molecular Formula: C121H189BrClN17O17
• Molecular Weight: 2269.30 g/mol
• Exact Mass: 2266.33
• IUPAC Name: benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)C1.CC(C)(C)OC(=O)N1CCC(CN(CCN2CCCCC2)C(=O)OCc2ccccc2)C1.CC(C)(C)OC(=O)N1CCC(CN(CCN2CCCCC2)C(=O)OCc2ccccc2)C1.CC(C)(C)OC(=O)N1CCC(CNCCN2CCCCC2)C1.Cc1cc2c(Br)ccnc2n1C.NCCN1CCCCC1.O=C(Cl)C(=O)c1ccccc1.O=C(OCc1ccccc1)N(CCN1CCCCC1)CC1CCNC1
• InChI: InChI=1S/2C25H39N3O4.C20H31N3O2.C17H33N3O2.C10H17NO3.C9H9BrN2.C8H5ClO2.C7H16N2/c2*1-25(2,3)32-24(30)27-15-12-22(18-27)19-28(17-16-26-13-8-5-9-14-26)23(29)31-20-21-10-6-4-7-11-21;24-20(25-17-18-7-3-1-4-8-18)23(16-19-9-10-21-15-19)14-13-22-11-5-2-6-12-22;1-17(2,3)22-16(21)20-11-7-15(14-20)13-18-8-12-19-9-5-4-6-10-19;1-10(2,3)14-9(13)11-5-4-8(6-11)7-12;1-6-5-7-8(10)3-4-11-9(7)12(6)2;9-8(11)7(10)6-4-2-1-3-5-6;8-4-7-9-5-2-1-3-6-9/h2*4,6-7,10-11,22H,5,8-9,12-20H2,1-3H3;1,3-4,7-8,19,21H,2,5-6,9-17H2;15,18H,4-14H2,1-3H3;7-8H,4-6H2,1-3H3;3-5H,1-2H3;1-5H;1-8H2
• InChIKey: HXVJYBPZKLSKDN-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 342.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2269.30
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine?

The IUPAC name of benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine (CID 158619639) is benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine.

What is the SMILES notation for benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine?

The canonical SMILES for benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine is CC(C)(C)OC(=O)N1CCC(C=O)C1.CC(C)(C)OC(=O)N1CCC(CN(CCN2CCCCC2)C(=O)OCc2ccccc2)C1.CC(C)(C)OC(=O)N1CCC(CN(CCN2CCCCC2)C(=O)OCc2ccccc2)C1.CC(C)(C)OC(=O)N1CCC(CNCCN2CCCCC2)C1.Cc1cc2c(Br)ccnc2n1C.NCCN1CCCCC1.O=C(Cl)C(=O)c1ccccc1.O=C(OCc1ccccc1)N(CCN1CCCCC1)CC1CCNC1.

What is the InChIKey of benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine?

The InChIKey is HXVJYBPZKLSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H39N3O4.C20H31N3O2.C17H33N3O2.C10H17NO3.C9H9BrN2.C8H5ClO2.C7H16N2/c2*1-25(2,3)32-24(30)27-15-12-22(18-27)19-28(17-16-26-13-8-5-9-14-26)23(29)31-20-21-10-6-4-7-11-21;24-20(25-17-18-7-3-1-4-8-18)23(16-19-9-10-21-15-19)14-13-22-11-5-2-6-12-22;1-17(2,3)22-16(21)20-11-7-15(14-20)13-18-8-12-19-9-5-4-6-10-19;1-10(2,3)14-9(13)11-5-4-8(6-11)7-12;1-6-5-7-8(10)3-4-11-9(7)12(6)2;9-8(11)7(10)6-4-2-1-3-5-6;8-4-7-9-5-2-1-3-6-9/h2*4,6-7,10-11,22H,5,8-9,12-20H2,1-3H3;1,3-4,7-8,19,21H,2,5-6,9-17H2;15,18H,4-14H2,1-3H3;7-8H,4-6H2,1-3H3;3-5H,1-2H3;1-5H;1-8H2.

What are the key properties of benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine?

benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine has a molecular weight of 2269.30 g/mol, XLogP of 19.93, 31 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-formylpyrrolidine-1-carboxylate;bis(tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate);tert-butyl 3-[(2-piperidin-1-ylethylamino)methyl]pyrrolidine-1-carboxylate;2-oxo-2-phenylacetyl chloride;2-piperidin-1-ylethanamine is sourced from PubChem (CID 158619639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).