[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone

C147H171ClF2N14O14 — CID 161046343

IUPAC[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(COc3ccc(-c4ccccc4)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(COc3ccc(C(C)(F)F)cc3)n2)CC1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c(C)c1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C25H26N2O2.C21H24F2N2O2.C21H26N2O2.C20H23ClN2O2.3C20H24N2O2/c1-19-14-16-27(17-15-19)25(28)24-9-5-8-22(26-24)18-29-23-12-10-21(11-13-23)20-6-3-2-4-7-20;1-15-10-12-25(13-11-15)20(26)19-5-3-4-17(24-19)14-27-18-8-6-16(7-9-18)21(2,22)23;1-15-9-11-23(12-10-15)21(24)19-6-4-5-18(22-19)14-25-20-8-7-16(2)13-17(20)3;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-25-17-7-6-15(2)18(21)12-17;1-15-9-11-22(12-10-15)20(23)19-8-4-6-17(21-19)14-24-18-7-3-5-16(2)13-18;2*1-15-6-8-18(9-7-15)24-14-17-4-3-5-19(21-17)20(23)22-12-10-16(2)11-13-22/h2-13,19H,14-18H2,1H3;3-9,15H,10-14H2,1-2H3;4-8,13,15H,9-12,14H2,1-3H3;3-7,12,14H,8-11,13H2,1-2H3;3-8,13,15H,9-12,14H2,1-2H3;2*3-9,16H,10-14H2,1-2H3
InChIKeyUBNWTSDTTAPYDF-UHFFFAOYSA-N
MW2431.52 g/mol
LogP30.01
Rot. Bonds30

About [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone

[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone (PubChem CID 161046343) has the molecular formula C147H171ClF2N14O14 and a molecular weight of 2431.52 g/mol. Its IUPAC name is [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone
PubChem CID161046343
Molecular FormulaC147H171ClF2N14O14
Molecular Weight2431.52 g/mol
Exact Mass2429.28
IUPAC Name[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(COc3ccc(-c4ccccc4)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(COc3ccc(C(C)(F)F)cc3)n2)CC1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c(C)c1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C25H26N2O2.C21H24F2N2O2.C21H26N2O2.C20H23ClN2O2.3C20H24N2O2/c1-19-14-16-27(17-15-19)25(28)24-9-5-8-22(26-24)18-29-23-12-10-21(11-13-23)20-6-3-2-4-7-20;1-15-10-12-25(13-11-15)20(26)19-5-3-4-17(24-19)14-27-18-8-6-16(7-9-18)21(2,22)23;1-15-9-11-23(12-10-15)21(24)19-6-4-5-18(22-19)14-25-20-8-7-16(2)13-17(20)3;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-25-17-7-6-15(2)18(21)12-17;1-15-9-11-22(12-10-15)20(23)19-8-4-6-17(21-19)14-24-18-7-3-5-16(2)13-18;2*1-15-6-8-18(9-7-15)24-14-17-4-3-5-19(21-17)20(23)22-12-10-16(2)11-13-22/h2-13,19H,14-18H2,1H3;3-9,15H,10-14H2,1-2H3;4-8,13,15H,9-12,14H2,1-3H3;3-7,12,14H,8-11,13H2,1-2H3;3-8,13,15H,9-12,14H2,1-2H3;2*3-9,16H,10-14H2,1-2H3
InChIKeyUBNWTSDTTAPYDF-UHFFFAOYSA-N
XLogP30.01
TPSA297.01 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.52
LogP ≤ 530.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
CID 58210525
[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211121
6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
CID 143311484
N-(2,4-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095478
[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211537
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210845
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211273
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422

Frequently Asked Questions

What is the IUPAC name of [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone?
The IUPAC name of [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone (CID 161046343) is [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone.
What is the SMILES notation for [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone?
The canonical SMILES for [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(COc3ccc(-c4ccccc4)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(COc3ccc(C(C)(F)F)cc3)n2)CC1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c(C)c1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1.Cc1ccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(OCc2cccc(C(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone?
The InChIKey is UBNWTSDTTAPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2.C21H24F2N2O2.C21H26N2O2.C20H23ClN2O2.3C20H24N2O2/c1-19-14-16-27(17-15-19)25(28)24-9-5-8-22(26-24)18-29-23-12-10-21(11-13-23)20-6-3-2-4-7-20;1-15-10-12-25(13-11-15)20(26)19-5-3-4-17(24-19)14-27-18-8-6-16(7-9-18)21(2,22)23;1-15-9-11-23(12-10-15)21(24)19-6-4-5-18(22-19)14-25-20-8-7-16(2)13-17(20)3;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-25-17-7-6-15(2)18(21)12-17;1-15-9-11-22(12-10-15)20(23)19-8-4-6-17(21-19)14-24-18-7-3-5-16(2)13-18;2*1-15-6-8-18(9-7-15)24-14-17-4-3-5-19(21-17)20(23)22-12-10-16(2)11-13-22/h2-13,19H,14-18H2,1H3;3-9,15H,10-14H2,1-2H3;4-8,13,15H,9-12,14H2,1-3H3;3-7,12,14H,8-11,13H2,1-2H3;3-8,13,15H,9-12,14H2,1-2H3;2*3-9,16H,10-14H2,1-2H3.
What are the key properties of [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone?
[6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone has a molecular weight of 2431.52 g/mol, XLogP of 30.01, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[4-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;bis([6-[(4-methylphenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[6-[(4-phenylphenoxy)methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 161046343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).