3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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

C150H217Cl3F5N33O4 — CID 160594026

About 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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

3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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 (PubChem CID 160594026) has the molecular formula C150H217Cl3F5N33O4 and a molecular weight of 2747.96 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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.

Molecular Properties

• Compound Name: 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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
• PubChem CID: 160594026
• Molecular Formula: C150H217Cl3F5N33O4
• Molecular Weight: 2747.96 g/mol
• Exact Mass: 2744.68
• IUPAC Name: 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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
• SMILES: C1=CN2CCCCCN2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(F)(F)c1cccc(N2CCNCC2)c1.CN1CCN(c2ncccn2)CC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C12H16ClNO.C12H15F3N2.C12H16F2N2.C11H15ClN2.2C11H16N2.C11H13NO.C10H13ClN2.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C8H14N2/c1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;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;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;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;1-2-5-9-7-4-8-10(9)6-3-1/h4-5,7,10,14H,2-3,6,8H2,1H3;2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;2-4,9,12H,5-8H2,1H3;1-3,6-7H,4-5,8-9H2;1-4,12H,5-8H2;1-5H,6-8H2;2-4H,5-8H2,1H3;9-10H,1-8H2;1-2,7,9H,3-6H2;1-3,9H,4-7H2;8-9H,1-7H2;4,7H,1-3,5-6,8H2
• InChIKey: RDJWKLNYDJTTHP-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 314.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.96
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

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-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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?

The IUPAC name of 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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 (CID 160594026) is 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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.

What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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?

The canonical SMILES for 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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 is C1=CN2CCCCCN2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(F)(F)c1cccc(N2CCNCC2)c1.CN1CCN(c2ncccn2)CC1.Cc1cc(N2CCNCC2)ccc1Cl.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.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-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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?

The InChIKey is RDJWKLNYDJTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.C12H15F3N2.C12H16F2N2.C11H15ClN2.2C11H16N2.C11H13NO.C10H13ClN2.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C8H14N2/c1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14;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;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;12-10(11-6-7-13-8-11)9-4-2-1-3-5-9;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;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;1-2-5-9-7-4-8-10(9)6-3-1/h4-5,7,10,14H,2-3,6,8H2,1H3;2-3,8,16H,4-7H2,1H3;2-4,9,15H,5-8H2,1H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;2-4,9,12H,5-8H2,1H3;1-3,6-7H,4-5,8-9H2;1-4,12H,5-8H2;1-5H,6-8H2;2-4H,5-8H2,1H3;9-10H,1-8H2;1-2,7,9H,3-6H2;1-3,9H,4-7H2;8-9H,1-7H2;4,7H,1-3,5-6,8H2.

What are the key properties of 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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?

3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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 has a molecular weight of 2747.96 g/mol, XLogP of 19.56, 17 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-methylphenoxy)piperidine;1-(4-chloro-3-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;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 is sourced from PubChem (CID 160594026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).