tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine

C107H122ClN17O8 — CID 162093080

About tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine

tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine (PubChem CID 162093080) has the molecular formula C107H122ClN17O8 and a molecular weight of 1809.72 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine
• PubChem CID: 162093080
• Molecular Formula: C107H122ClN17O8
• Molecular Weight: 1809.72 g/mol
• Exact Mass: 1807.94
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc2n1C.Cn1c(C(=O)O)cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc21.NCc1ccc(CN2CCCCC2)cc1
• InChI: InChI=1S/C33H35N5O2.C31H31N5O2.C20H16ClN3O2.C13H20N2.C10H20N2O2/c1-3-40-33(39)32-18-26-17-25(11-12-31(26)37(32)2)29-19-30(27-21-34-14-13-28(27)36-29)35-20-23-7-9-24(10-8-23)22-38-15-5-4-6-16-38;1-35-29-10-9-23(15-24(29)16-30(35)31(37)38)27-17-28(25-19-32-12-11-26(25)34-27)33-18-21-5-7-22(8-6-21)20-36-13-3-2-4-14-36;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h7-14,17-19,21H,3-6,15-16,20,22H2,1-2H3,(H,35,36);5-12,15-17,19H,2-4,13-14,18,20H2,1H3,(H,33,34)(H,37,38);4-11H,3H2,1-2H3;4-7H,1-3,8-11,14H2;8H,4-7,11H2,1-3H3
• InChIKey: ZDWKDFPEBBNIEK-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 297.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.72
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine?

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine (CID 162093080) is tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine.

What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine?

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine is CC(C)(C)OC(=O)N1CCC(N)CC1.CCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc2n1C.Cn1c(C(=O)O)cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc21.NCc1ccc(CN2CCCCC2)cc1.

What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine?

The InChIKey is ZDWKDFPEBBNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O2.C31H31N5O2.C20H16ClN3O2.C13H20N2.C10H20N2O2/c1-3-40-33(39)32-18-26-17-25(11-12-31(26)37(32)2)29-19-30(27-21-34-14-13-28(27)36-29)35-20-23-7-9-24(10-8-23)22-38-15-5-4-6-16-38;1-35-29-10-9-23(15-24(29)16-30(35)31(37)38)27-17-28(25-19-32-12-11-26(25)34-27)33-18-21-5-7-22(8-6-21)20-36-13-3-2-4-14-36;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h7-14,17-19,21H,3-6,15-16,20,22H2,1-2H3,(H,35,36);5-12,15-17,19H,2-4,13-14,18,20H2,1H3,(H,33,34)(H,37,38);4-11H,3H2,1-2H3;4-7H,1-3,8-11,14H2;8H,4-7,11H2,1-3H3.

What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine?

tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 1809.72 g/mol, XLogP of 20.74, 21 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;[4-(piperidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 162093080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).