[4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid

C83H97F6N13O12 — CID 161468377

About [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid

[4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid (PubChem CID 161468377) has the molecular formula C83H97F6N13O12 and a molecular weight of 1582.76 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid
• PubChem CID: 161468377
• Molecular Formula: C83H97F6N13O12
• Molecular Weight: 1582.76 g/mol
• Exact Mass: 1581.73
• IUPAC Name: [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)CCC1CCN(C(=O)c2ccnc(F)c2)CC1.CC(C)(C)OC(=O)NCC1CCNCC1.NCC1CCN(C(=O)c2ccnc(F)c2)CC1.O=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1.O=C(O)c1ccc(-c2cccc(F)c2)nc1.O=C(O)c1ccnc(F)c1
• InChI: InChI=1S/C24H22F2N4O2.C18H25FN2O3.C12H16FN3O.C12H8FNO2.C11H22N2O2.C6H4FNO2/c25-20-3-1-2-17(10-20)22-5-4-18(14-28-22)23(31)29-12-16-6-8-30(9-7-16)24(32)19-11-21(26)15-27-13-19;1-18(2,3)24-16(22)5-4-13-7-10-21(11-8-13)17(23)14-6-9-20-15(19)12-14;13-11-7-10(1-4-15-11)12(17)16-5-2-9(8-14)3-6-16;13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;7-5-3-4(6(9)10)1-2-8-5/h1-5,10-11,13-16H,6-9,12H2,(H,29,31);6,9,12-13H,4-5,7-8,10-11H2,1-3H3;1,4,7,9H,2-3,5-6,8,14H2;1-7H,(H,15,16);9,12H,4-8H2,1-3H3,(H,13,14);1-3H,(H,9,10)
• InChIKey: WCSXGJJZFZIDJH-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 344.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1582.76
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid?

The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid (CID 161468377) is [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid.

What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid?

The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid is CC(C)(C)OC(=O)CCC1CCN(C(=O)c2ccnc(F)c2)CC1.CC(C)(C)OC(=O)NCC1CCNCC1.NCC1CCN(C(=O)c2ccnc(F)c2)CC1.O=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1.O=C(O)c1ccc(-c2cccc(F)c2)nc1.O=C(O)c1ccnc(F)c1.

What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid?

The InChIKey is WCSXGJJZFZIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2.C18H25FN2O3.C12H16FN3O.C12H8FNO2.C11H22N2O2.C6H4FNO2/c25-20-3-1-2-17(10-20)22-5-4-18(14-28-22)23(31)29-12-16-6-8-30(9-7-16)24(32)19-11-21(26)15-27-13-19;1-18(2,3)24-16(22)5-4-13-7-10-21(11-8-13)17(23)14-6-9-20-15(19)12-14;13-11-7-10(1-4-15-11)12(17)16-5-2-9(8-14)3-6-16;13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16;1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9;7-5-3-4(6(9)10)1-2-8-5/h1-5,10-11,13-16H,6-9,12H2,(H,29,31);6,9,12-13H,4-5,7-8,10-11H2,1-3H3;1,4,7,9H,2-3,5-6,8,14H2;1-7H,(H,15,16);9,12H,4-8H2,1-3H3,(H,13,14);1-3H,(H,9,10).

What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid?

[4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid has a molecular weight of 1582.76 g/mol, XLogP of 12.95, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone;tert-butyl 3-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]propanoate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;6-(3-fluorophenyl)pyridine-3-carboxylic acid;2-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 161468377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).