2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid

C181H218Br2ClN29O4 — CID 158474729

IUPAC2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
SMILESBrc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1
InChIInChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C17H21N3.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;2*18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;1-7,12,15H,8-11,13,18H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;;15-9+;;;
InChIKeyHGUHLBIQPKPDLV-JVRDEXEMSA-N
MW3059.19 g/mol
LogP35.07
Rot. Bonds29

About 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid

2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid (PubChem CID 158474729) has the molecular formula C181H218Br2ClN29O4 and a molecular weight of 3059.19 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
PubChem CID158474729
Molecular FormulaC181H218Br2ClN29O4
Molecular Weight3059.19 g/mol
Exact Mass3054.58
IUPAC Name2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
SMILESBrc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1
InChIInChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C17H21N3.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;2*18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;1-7,12,15H,8-11,13,18H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;;15-9+;;;
InChIKeyHGUHLBIQPKPDLV-JVRDEXEMSA-N
XLogP35.07
TPSA413.47 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003059.19
LogP ≤ 535.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid (CID 158474729) is 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid is Brc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The InChIKey is HGUHLBIQPKPDLV-JVRDEXEMSA-N. The full InChI is InChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C17H21N3.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;2*18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;1-7,12,15H,8-11,13,18H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;;15-9+;;;.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid has a molecular weight of 3059.19 g/mol, XLogP of 35.07, 29 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 158474729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).