3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine

C94H132ClF4N17O2 — CID 160545075

IUPAC3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(CC2CCNCC2)cn1.COc1cncc(CC2CCNCC2)c1.Cc1ccc(CC2CCNCC2)cn1.Cc1cncc(CC2CCNCC2)c1.Clc1cncc(CC2CCNCC2)c1.FC(F)(F)c1cncc(CC2CCNCC2)c1.Fc1cncc(CC2CCNCC2)c1.N#Cc1cncc(CC2CCNCC2)c1
InChIInChI=1S/C12H15F3N2.C12H15N3.2C12H18N2O.2C12H18N2.C11H15ClN2.C11H15FN2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9;13-7-12-6-11(8-15-9-12)5-10-1-3-14-4-2-10;1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10;1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10;1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11;1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11;2*12-11-6-10(7-14-8-11)5-9-1-3-13-4-2-9/h6-9,16H,1-5H2;6,8-10,14H,1-5H2;7-10,13H,2-6H2,1H3;2-3,9-10,13H,4-8H2,1H3;6,8-9,11,13H,2-5,7H2,1H3;2-3,9,11,13H,4-8H2,1H3;2*6-9,13H,1-5H2
InChIKeyQXHVBTJPAQDWAD-UHFFFAOYSA-N
MW1643.65 g/mol
LogP15.31
Rot. Bonds18

About 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine

3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine (PubChem CID 160545075) has the molecular formula C94H132ClF4N17O2 and a molecular weight of 1643.65 g/mol. Its IUPAC name is 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine
PubChem CID160545075
Molecular FormulaC94H132ClF4N17O2
Molecular Weight1643.65 g/mol
Exact Mass1642.04
IUPAC Name3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(CC2CCNCC2)cn1.COc1cncc(CC2CCNCC2)c1.Cc1ccc(CC2CCNCC2)cn1.Cc1cncc(CC2CCNCC2)c1.Clc1cncc(CC2CCNCC2)c1.FC(F)(F)c1cncc(CC2CCNCC2)c1.Fc1cncc(CC2CCNCC2)c1.N#Cc1cncc(CC2CCNCC2)c1
InChIInChI=1S/C12H15F3N2.C12H15N3.2C12H18N2O.2C12H18N2.C11H15ClN2.C11H15FN2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9;13-7-12-6-11(8-15-9-12)5-10-1-3-14-4-2-10;1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10;1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10;1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11;1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11;2*12-11-6-10(7-14-8-11)5-9-1-3-13-4-2-9/h6-9,16H,1-5H2;6,8-10,14H,1-5H2;7-10,13H,2-6H2,1H3;2-3,9-10,13H,4-8H2,1H3;6,8-9,11,13H,2-5,7H2,1H3;2-3,9,11,13H,4-8H2,1H3;2*6-9,13H,1-5H2
InChIKeyQXHVBTJPAQDWAD-UHFFFAOYSA-N
XLogP15.31
TPSA241.61 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001643.65
LogP ≤ 515.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine (CID 160545075) is 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine is COc1ccc(CC2CCNCC2)cn1.COc1cncc(CC2CCNCC2)c1.Cc1ccc(CC2CCNCC2)cn1.Cc1cncc(CC2CCNCC2)c1.Clc1cncc(CC2CCNCC2)c1.FC(F)(F)c1cncc(CC2CCNCC2)c1.Fc1cncc(CC2CCNCC2)c1.N#Cc1cncc(CC2CCNCC2)c1.
What is the InChIKey of 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is QXHVBTJPAQDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H15N3.2C12H18N2O.2C12H18N2.C11H15ClN2.C11H15FN2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9;13-7-12-6-11(8-15-9-12)5-10-1-3-14-4-2-10;1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10;1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10;1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11;1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11;2*12-11-6-10(7-14-8-11)5-9-1-3-13-4-2-9/h6-9,16H,1-5H2;6,8-10,14H,1-5H2;7-10,13H,2-6H2,1H3;2-3,9-10,13H,4-8H2,1H3;6,8-9,11,13H,2-5,7H2,1H3;2-3,9,11,13H,4-8H2,1H3;2*6-9,13H,1-5H2.
What are the key properties of 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine?
3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 1643.65 g/mol, XLogP of 15.31, 18 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(piperidin-4-ylmethyl)pyridine;3-fluoro-5-(piperidin-4-ylmethyl)pyridine;2-methoxy-5-(piperidin-4-ylmethyl)pyridine;3-methoxy-5-(piperidin-4-ylmethyl)pyridine;2-methyl-5-(piperidin-4-ylmethyl)pyridine;3-methyl-5-(piperidin-4-ylmethyl)pyridine;5-(piperidin-4-ylmethyl)pyridine-3-carbonitrile;3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 160545075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).