benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate

C163H177Br2ClN18O7 — CID 162244085

IUPACbenzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate
SMILESBrc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.CO/C=N/c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1C.Clc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.O=C(OCc1ccccc1)N1CCC(c2ccc(Br)cn2)CC1.[C-]#[N+]c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.c1ccc(CN2CCC(c3ccc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C23H23BrN2.C23H23ClN2.C23H24N2.C19H19N3O2.C19H23N3O.C19H22N2O2.C19H24N2.C18H19BrN2O2/c2*24-22-9-6-19(7-10-22)21-8-11-23(25-16-21)20-12-14-26(15-13-20)17-18-4-2-1-3-5-18;1-3-7-19(8-4-1)18-25-15-13-21(14-16-25)23-12-11-22(17-24-23)20-9-5-2-6-10-20;1-20-17-7-8-18(21-13-17)16-9-11-22(12-10-16)19(23)24-14-15-5-3-2-4-6-15;1-23-15-21-18-7-8-19(20-13-18)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;1-15-7-8-18(20-13-15)17-9-11-21(12-10-17)19(22)23-14-16-5-3-2-4-6-16;1-15-8-9-19(20-16(15)2)18-10-12-21(13-11-18)14-17-6-4-3-5-7-17;19-16-6-7-17(20-12-16)15-8-10-21(11-9-15)18(22)23-13-14-4-2-1-3-5-14/h2*1-11,16,20H,12-15,17H2;1-12,17,21H,13-16,18H2;2-8,13,16H,9-12,14H2;2-8,13,15,17H,9-12,14H2,1H3;2-8,13,17H,9-12,14H2,1H3;3-9,18H,10-14H2,1-2H3;1-7,12,15H,8-11,13H2/b;;;;21-15+;;;
InChIKeyZXCBCZBSANWXQF-HGYHGZFASA-N
MW2695.59 g/mol
LogP37.06
Rot. Bonds29

About benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate

benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate (PubChem CID 162244085) has the molecular formula C163H177Br2ClN18O7 and a molecular weight of 2695.59 g/mol. Its IUPAC name is benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate.

Molecular Properties

Compound Namebenzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate
PubChem CID162244085
Molecular FormulaC163H177Br2ClN18O7
Molecular Weight2695.59 g/mol
Exact Mass2691.21
IUPAC Namebenzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate
SMILESBrc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.CO/C=N/c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1C.Clc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.O=C(OCc1ccccc1)N1CCC(c2ccc(Br)cn2)CC1.[C-]#[N+]c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.c1ccc(CN2CCC(c3ccc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C23H23BrN2.C23H23ClN2.C23H24N2.C19H19N3O2.C19H23N3O.C19H22N2O2.C19H24N2.C18H19BrN2O2/c2*24-22-9-6-19(7-10-22)21-8-11-23(25-16-21)20-12-14-26(15-13-20)17-18-4-2-1-3-5-18;1-3-7-19(8-4-1)18-25-15-13-21(14-16-25)23-12-11-22(17-24-23)20-9-5-2-6-10-20;1-20-17-7-8-18(21-13-17)16-9-11-22(12-10-16)19(23)24-14-15-5-3-2-4-6-15;1-23-15-21-18-7-8-19(20-13-18)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;1-15-7-8-18(20-13-15)17-9-11-21(12-10-17)19(22)23-14-16-5-3-2-4-6-16;1-15-8-9-19(20-16(15)2)18-10-12-21(13-11-18)14-17-6-4-3-5-7-17;19-16-6-7-17(20-12-16)15-8-10-21(11-9-15)18(22)23-13-14-4-2-1-3-5-14/h2*1-11,16,20H,12-15,17H2;1-12,17,21H,13-16,18H2;2-8,13,16H,9-12,14H2;2-8,13,15,17H,9-12,14H2,1H3;2-8,13,17H,9-12,14H2,1H3;3-9,18H,10-14H2,1-2H3;1-7,12,15H,8-11,13H2/b;;;;21-15+;;;
InChIKeyZXCBCZBSANWXQF-HGYHGZFASA-N
XLogP37.06
TPSA233.89 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002695.59
LogP ≤ 537.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate?
The IUPAC name of benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate (CID 162244085) is benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate.
What is the SMILES notation for benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate?
The canonical SMILES for benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate is Brc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.CO/C=N/c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1C.Clc1ccc(-c2ccc(C3CCN(Cc4ccccc4)CC3)nc2)cc1.O=C(OCc1ccccc1)N1CCC(c2ccc(Br)cn2)CC1.[C-]#[N+]c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1.c1ccc(CN2CCC(c3ccc(-c4ccccc4)cn3)CC2)cc1.
What is the InChIKey of benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate?
The InChIKey is ZXCBCZBSANWXQF-HGYHGZFASA-N. The full InChI is InChI=1S/C23H23BrN2.C23H23ClN2.C23H24N2.C19H19N3O2.C19H23N3O.C19H22N2O2.C19H24N2.C18H19BrN2O2/c2*24-22-9-6-19(7-10-22)21-8-11-23(25-16-21)20-12-14-26(15-13-20)17-18-4-2-1-3-5-18;1-3-7-19(8-4-1)18-25-15-13-21(14-16-25)23-12-11-22(17-24-23)20-9-5-2-6-10-20;1-20-17-7-8-18(21-13-17)16-9-11-22(12-10-16)19(23)24-14-15-5-3-2-4-6-15;1-23-15-21-18-7-8-19(20-13-18)17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;1-15-7-8-18(20-13-15)17-9-11-21(12-10-17)19(22)23-14-16-5-3-2-4-6-16;1-15-8-9-19(20-16(15)2)18-10-12-21(13-11-18)14-17-6-4-3-5-7-17;19-16-6-7-17(20-12-16)15-8-10-21(11-9-15)18(22)23-13-14-4-2-1-3-5-14/h2*1-11,16,20H,12-15,17H2;1-12,17,21H,13-16,18H2;2-8,13,16H,9-12,14H2;2-8,13,15,17H,9-12,14H2,1H3;2-8,13,17H,9-12,14H2,1H3;3-9,18H,10-14H2,1-2H3;1-7,12,15H,8-11,13H2/b;;;;21-15+;;;.
What are the key properties of benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate?
benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate has a molecular weight of 2695.59 g/mol, XLogP of 37.06, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-bromo-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzylpiperidin-4-yl)-2,3-dimethylpyridine;2-(1-benzylpiperidin-4-yl)-5-phenylpyridine;methyl N-[6-(1-benzylpiperidin-4-yl)-3-pyridinyl]methanimidate is sourced from PubChem (CID 162244085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).