benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine

C143H159BrN18O14 — CID 158606645

IUPACbenzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine
SMILESCCc1cccc(C2CCNCC2)n1.COc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1C.Nc1cccc(C2CCNCC2)n1.O=C(O)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1-c1ccccc1.O=C(OCc1ccccc1)N1CC=C(c2cccc(N=COc3ccccc3)n2)CC1.O=C(Oc1ccccc1)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1Br.c1ccc(-c2cccc(C3CCNCC3)n2)cc1.c1ccc(C2CCNCC2)nc1
InChIInChI=1S/C25H23BrN2O4.C25H23N3O3.C25H24N2O4.C20H24N2O3.C16H18N2.C12H18N2.C10H15N3.C10H14N2/c26-21-11-12-22(27-23(21)24(29)32-20-9-5-2-6-10-20)19-13-15-28(16-14-19)25(30)31-17-18-7-3-1-4-8-18;29-25(30-18-20-8-3-1-4-9-20)28-16-14-21(15-17-28)23-12-7-13-24(27-23)26-19-31-22-10-5-2-6-11-22;28-24(29)23-21(19-9-5-2-6-10-19)11-12-22(26-23)20-13-15-27(16-14-20)25(30)31-17-18-7-3-1-4-8-18;1-15-8-9-18(21-19(15)24-2)17-10-12-22(13-11-17)20(23)25-14-16-6-4-3-5-7-16;1-2-5-13(6-3-1)15-7-4-8-16(18-15)14-9-11-17-12-10-14;1-2-11-4-3-5-12(14-11)10-6-8-13-9-7-10;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-12,19H,13-17H2;1-14,19H,15-18H2;1-12,20H,13-17H2,(H,28,29);3-9,17H,10-14H2,1-2H3;1-8,14,17H,9-12H2;3-5,10,13H,2,6-9H2,1H3;1-3,8,12H,4-7H2,(H2,11,13);1-3,6,9,11H,4-5,7-8H2
InChIKeyHWHSMQBTEPMEHT-UHFFFAOYSA-N
MW2433.86 g/mol
LogP27.71
Rot. Bonds26

About benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine

benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine (PubChem CID 158606645) has the molecular formula C143H159BrN18O14 and a molecular weight of 2433.86 g/mol. Its IUPAC name is benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine.

Molecular Properties

Compound Namebenzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine
PubChem CID158606645
Molecular FormulaC143H159BrN18O14
Molecular Weight2433.86 g/mol
Exact Mass2431.15
IUPAC Namebenzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine
SMILESCCc1cccc(C2CCNCC2)n1.COc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1C.Nc1cccc(C2CCNCC2)n1.O=C(O)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1-c1ccccc1.O=C(OCc1ccccc1)N1CC=C(c2cccc(N=COc3ccccc3)n2)CC1.O=C(Oc1ccccc1)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1Br.c1ccc(-c2cccc(C3CCNCC3)n2)cc1.c1ccc(C2CCNCC2)nc1
InChIInChI=1S/C25H23BrN2O4.C25H23N3O3.C25H24N2O4.C20H24N2O3.C16H18N2.C12H18N2.C10H15N3.C10H14N2/c26-21-11-12-22(27-23(21)24(29)32-20-9-5-2-6-10-20)19-13-15-28(16-14-19)25(30)31-17-18-7-3-1-4-8-18;29-25(30-18-20-8-3-1-4-9-20)28-16-14-21(15-17-28)23-12-7-13-24(27-23)26-19-31-22-10-5-2-6-11-22;28-24(29)23-21(19-9-5-2-6-10-19)11-12-22(26-23)20-13-15-27(16-14-20)25(30)31-17-18-7-3-1-4-8-18;1-15-8-9-18(21-19(15)24-2)17-10-12-22(13-11-17)20(23)25-14-16-6-4-3-5-7-16;1-2-5-13(6-3-1)15-7-4-8-16(18-15)14-9-11-17-12-10-14;1-2-11-4-3-5-12(14-11)10-6-8-13-9-7-10;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-12,19H,13-17H2;1-14,19H,15-18H2;1-12,20H,13-17H2,(H,28,29);3-9,17H,10-14H2,1-2H3;1-8,14,17H,9-12H2;3-5,10,13H,2,6-9H2,1H3;1-3,8,12H,4-7H2,(H2,11,13);1-3,6,9,11H,4-5,7-8H2
InChIKeyHWHSMQBTEPMEHT-UHFFFAOYSA-N
XLogP27.71
TPSA389.84 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.86
LogP ≤ 527.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine?
The IUPAC name of benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine (CID 158606645) is benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine.
What is the SMILES notation for benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine?
The canonical SMILES for benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine is CCc1cccc(C2CCNCC2)n1.COc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1C.Nc1cccc(C2CCNCC2)n1.O=C(O)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1-c1ccccc1.O=C(OCc1ccccc1)N1CC=C(c2cccc(N=COc3ccccc3)n2)CC1.O=C(Oc1ccccc1)c1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1Br.c1ccc(-c2cccc(C3CCNCC3)n2)cc1.c1ccc(C2CCNCC2)nc1.
What is the InChIKey of benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine?
The InChIKey is HWHSMQBTEPMEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O4.C25H23N3O3.C25H24N2O4.C20H24N2O3.C16H18N2.C12H18N2.C10H15N3.C10H14N2/c26-21-11-12-22(27-23(21)24(29)32-20-9-5-2-6-10-20)19-13-15-28(16-14-19)25(30)31-17-18-7-3-1-4-8-18;29-25(30-18-20-8-3-1-4-9-20)28-16-14-21(15-17-28)23-12-7-13-24(27-23)26-19-31-22-10-5-2-6-11-22;28-24(29)23-21(19-9-5-2-6-10-19)11-12-22(26-23)20-13-15-27(16-14-20)25(30)31-17-18-7-3-1-4-8-18;1-15-8-9-18(21-19(15)24-2)17-10-12-22(13-11-17)20(23)25-14-16-6-4-3-5-7-16;1-2-5-13(6-3-1)15-7-4-8-16(18-15)14-9-11-17-12-10-14;1-2-11-4-3-5-12(14-11)10-6-8-13-9-7-10;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-12,19H,13-17H2;1-14,19H,15-18H2;1-12,20H,13-17H2,(H,28,29);3-9,17H,10-14H2,1-2H3;1-8,14,17H,9-12H2;3-5,10,13H,2,6-9H2,1H3;1-3,8,12H,4-7H2,(H2,11,13);1-3,6,9,11H,4-5,7-8H2.
What are the key properties of benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine?
benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine has a molecular weight of 2433.86 g/mol, XLogP of 27.71, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine is sourced from PubChem (CID 158606645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).