3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C170H248Cl5F5N34O9S — CID 159187855

About 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 159187855) has the molecular formula C170H248Cl5F5N34O9S and a molecular weight of 3216.40 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 159187855
• Molecular Formula: C170H248Cl5F5N34O9S
• Molecular Weight: 3216.40 g/mol
• Exact Mass: 3211.81
• IUPAC Name: 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(c1ccc(Cl)cc1)N1CCNCC1.CC1NCCCC1=O.CS(=O)(=O)C1CCNCC1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1cccc(N2CCNCC2)c1.Clc1cc(Cl)cc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C12H17ClN2.C12H16ClNO.C11H14FNO.2C11H16N2.C11H13NO.C10H12Cl2N2.C10H13ClN2.C10H12F3N3.C10H12FN.C10H11NO2.C9H18N2.2C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C6H11NO/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;11-9-4-3-5-10(8-9)12-6-1-2-7-12;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-2-7-11(6-1)8-9-4-3-5-10-9;1-2-11-8(7-10-1)12-5-3-9-4-6-12;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-6-10(5-1)8-3-4-9-7-8;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-5-6(8)3-2-4-7-5/h2-5,10,14H,6-9H2,1H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-3,8,10,13H,4-7H2;2-5,12H,6-9H2,1H3;2-4,9,12H,5-8H2,1H3;1-3,6-7H,4-5,8-9H2;5-7,13H,1-4H2;1-4,12H,5-8H2;1-3,14H,4-7H2;3-5,8H,1-2,6-7H2;1-5H,6-8H2;9-10H,1-8H2;1-2,7,9H,3-6H2;1-3,9H,4-7H2;8-9H,1-7H2;8H,2-6H2,1H3;6-7H,2-5H2,1H3;5,7H,2-4H2,1H3
• InChIKey: KNSFUIWKNMVDLZ-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 420.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3216.40
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 159187855) is 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(c1ccc(Cl)cc1)N1CCNCC1.CC1NCCCC1=O.CS(=O)(=O)C1CCNCC1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1cccc(N2CCNCC2)c1.Clc1cc(Cl)cc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1.

What is the InChIKey of 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is KNSFUIWKNMVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C12H16ClNO.C11H14FNO.2C11H16N2.C11H13NO.C10H12Cl2N2.C10H13ClN2.C10H12F3N3.C10H12FN.C10H11NO2.C9H18N2.2C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C6H11NO/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;11-9-4-3-5-10(8-9)12-6-1-2-7-12;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-2-7-11(6-1)8-9-4-3-5-10-9;1-2-11-8(7-10-1)12-5-3-9-4-6-12;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-2-6-10(5-1)8-3-4-9-7-8;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-5-6(8)3-2-4-7-5/h2-5,10,14H,6-9H2,1H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-3,8,10,13H,4-7H2;2-5,12H,6-9H2,1H3;2-4,9,12H,5-8H2,1H3;1-3,6-7H,4-5,8-9H2;5-7,13H,1-4H2;1-4,12H,5-8H2;1-3,14H,4-7H2;3-5,8H,1-2,6-7H2;1-5H,6-8H2;9-10H,1-8H2;1-2,7,9H,3-6H2;1-3,9H,4-7H2;8-9H,1-7H2;8H,2-6H2,1H3;6-7H,2-5H2,1H3;5,7H,2-4H2,1H3.

What are the key properties of 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 3216.40 g/mol, XLogP of 21.97, 20 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-methylphenoxy)piperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;1-(2-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-methylpiperidin-3-one;4-methylsulfonylpiperidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrazine;2-piperazin-1-ylpyrimidine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 159187855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).