4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine

C154H222Cl3F4N17OS2 — CID 158824564

IUPAC4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.CN1CCC(Cc2ccc(Cl)cc2)CC1.CN1CCC(Cc2ccc(F)cc2)CC1.CN1CCC(Cc2ccccn2)CC1.CN1CCC(Cc2cccnc2)CC1.CN1CCC(Cc2ccncc2)CC1.CN1CCC(Sc2ccccn2)CC1.CN1CCC(Sc2ccncc2)CC1.COc1ccc(CC2CCN(C)CC2)cc1.Cc1cc(CC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(CC2CCN(C)CC2)cc1.Cc1ccc(CC2CCN(C)CC2)cc1
InChIInChI=1S/C15H20F3N.C14H21NO.2C14H21N.C13H17Cl2N.C13H18ClN.C13H18FN.3C12H18N2.2C11H16N2S/c1-11-7-13(10-14(8-11)15(16,17)18)9-12-3-5-19(2)6-4-12;1-15-9-7-13(8-10-15)11-12-3-5-14(16-2)6-4-12;2*1-12-3-5-13(6-4-12)11-14-7-9-15(2)10-8-14;1-16-6-4-10(5-7-16)8-11-2-3-12(14)13(15)9-11;2*1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11;1-14-8-4-12(5-9-14)10-11-2-6-13-7-3-11;1-14-7-4-11(5-8-14)9-12-3-2-6-13-10-12;1-14-8-5-11(6-9-14)10-12-4-2-3-7-13-12;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h7-8,10,12H,3-6,9H2,1-2H3;3-6,13H,7-11H2,1-2H3;2*3-6,14H,7-11H2,1-2H3;2-3,9-10H,4-8H2,1H3;2*2-5,12H,6-10H2,1H3;2-3,6-7,12H,4-5,8-10H2,1H3;2-3,6,10-11H,4-5,7-9H2,1H3;2-4,7,11H,5-6,8-10H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-4,7,10H,5-6,8-9H2,1H3
InChIKeyIWHJIBBBSJPLOZ-UHFFFAOYSA-N
MW2574.07 g/mol
LogP32.48
Rot. Bonds25

About 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine

4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine (PubChem CID 158824564) has the molecular formula C154H222Cl3F4N17OS2 and a molecular weight of 2574.07 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine
PubChem CID158824564
Molecular FormulaC154H222Cl3F4N17OS2
Molecular Weight2574.07 g/mol
Exact Mass2570.63
IUPAC Name4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.CN1CCC(Cc2ccc(Cl)cc2)CC1.CN1CCC(Cc2ccc(F)cc2)CC1.CN1CCC(Cc2ccccn2)CC1.CN1CCC(Cc2cccnc2)CC1.CN1CCC(Cc2ccncc2)CC1.CN1CCC(Sc2ccccn2)CC1.CN1CCC(Sc2ccncc2)CC1.COc1ccc(CC2CCN(C)CC2)cc1.Cc1cc(CC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(CC2CCN(C)CC2)cc1.Cc1ccc(CC2CCN(C)CC2)cc1
InChIInChI=1S/C15H20F3N.C14H21NO.2C14H21N.C13H17Cl2N.C13H18ClN.C13H18FN.3C12H18N2.2C11H16N2S/c1-11-7-13(10-14(8-11)15(16,17)18)9-12-3-5-19(2)6-4-12;1-15-9-7-13(8-10-15)11-12-3-5-14(16-2)6-4-12;2*1-12-3-5-13(6-4-12)11-14-7-9-15(2)10-8-14;1-16-6-4-10(5-7-16)8-11-2-3-12(14)13(15)9-11;2*1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11;1-14-8-4-12(5-9-14)10-11-2-6-13-7-3-11;1-14-7-4-11(5-8-14)9-12-3-2-6-13-10-12;1-14-8-5-11(6-9-14)10-12-4-2-3-7-13-12;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h7-8,10,12H,3-6,9H2,1-2H3;3-6,13H,7-11H2,1-2H3;2*3-6,14H,7-11H2,1-2H3;2-3,9-10H,4-8H2,1H3;2*2-5,12H,6-10H2,1H3;2-3,6-7,12H,4-5,8-10H2,1H3;2-3,6,10-11H,4-5,7-9H2,1H3;2-4,7,11H,5-6,8-10H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-4,7,10H,5-6,8-9H2,1H3
InChIKeyIWHJIBBBSJPLOZ-UHFFFAOYSA-N
XLogP32.48
TPSA112.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.07
LogP ≤ 532.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine (CID 158824564) is 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine is CN1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.CN1CCC(Cc2ccc(Cl)cc2)CC1.CN1CCC(Cc2ccc(F)cc2)CC1.CN1CCC(Cc2ccccn2)CC1.CN1CCC(Cc2cccnc2)CC1.CN1CCC(Cc2ccncc2)CC1.CN1CCC(Sc2ccccn2)CC1.CN1CCC(Sc2ccncc2)CC1.COc1ccc(CC2CCN(C)CC2)cc1.Cc1cc(CC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(CC2CCN(C)CC2)cc1.Cc1ccc(CC2CCN(C)CC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine?
The InChIKey is IWHJIBBBSJPLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N.C14H21NO.2C14H21N.C13H17Cl2N.C13H18ClN.C13H18FN.3C12H18N2.2C11H16N2S/c1-11-7-13(10-14(8-11)15(16,17)18)9-12-3-5-19(2)6-4-12;1-15-9-7-13(8-10-15)11-12-3-5-14(16-2)6-4-12;2*1-12-3-5-13(6-4-12)11-14-7-9-15(2)10-8-14;1-16-6-4-10(5-7-16)8-11-2-3-12(14)13(15)9-11;2*1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11;1-14-8-4-12(5-9-14)10-11-2-6-13-7-3-11;1-14-7-4-11(5-8-14)9-12-3-2-6-13-10-12;1-14-8-5-11(6-9-14)10-12-4-2-3-7-13-12;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h7-8,10,12H,3-6,9H2,1-2H3;3-6,13H,7-11H2,1-2H3;2*3-6,14H,7-11H2,1-2H3;2-3,9-10H,4-8H2,1H3;2*2-5,12H,6-10H2,1H3;2-3,6-7,12H,4-5,8-10H2,1H3;2-3,6,10-11H,4-5,7-9H2,1H3;2-4,7,11H,5-6,8-10H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine?
4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine has a molecular weight of 2574.07 g/mol, XLogP of 32.48, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-methylpiperidine;4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidine;4-[(4-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-methoxyphenyl)methyl]-1-methylpiperidine;bis(1-methyl-4-[(4-methylphenyl)methyl]piperidine);1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperidine;2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-[(1-methylpiperidin-4-yl)methyl]pyridine;4-[(1-methylpiperidin-4-yl)methyl]pyridine;2-(1-methylpiperidin-4-yl)sulfanylpyridine;4-(1-methylpiperidin-4-yl)sulfanylpyridine is sourced from PubChem (CID 158824564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).