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

C148H230Cl3F2N33O5 — CID 160682575

About 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 160682575) has the molecular formula C148H230Cl3F2N33O5 and a molecular weight of 2696.05 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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: 160682575
• Molecular Formula: C148H230Cl3F2N33O5
• Molecular Weight: 2696.05 g/mol
• Exact Mass: 2692.78
• IUPAC Name: 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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: C.C.C.C.C1=CN2CCCCCN2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(F)(F)c1cccc(N2CCNCC2)c1.CC1NCCNC1=O.CN1CCN(c2ncccn2)CC1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C13H20N2.C12H16ClNO.C12H16F2N2.C11H16N2.C11H13NO.2C10H13ClN2.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C8H14N2.C5H10N2O.4CH4/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;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;1-4-5(8)7-3-2-6-4;;;;/h3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;2-4,9,15H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-3,6-7H,4-5,8-9H2;1-3,8,12H,4-7H2;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;4,6H,2-3H2,1H3,(H,7,8);4*1H4
• InChIKey: ROIMBWIRDQWGIP-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 339.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2696.05
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	12
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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 160682575) is 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 C.C.C.C.C1=CN2CCCCCN2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(F)(F)c1cccc(N2CCNCC2)c1.CC1NCCNC1=O.CN1CCN(c2ncccn2)CC1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cccc(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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 ROIMBWIRDQWGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H16ClNO.C12H16F2N2.C11H16N2.C11H13NO.2C10H13ClN2.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C8H14N2.C5H10N2O.4CH4/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;13-11(12-8-4-5-9-12)10-6-2-1-3-7-10;11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;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;1-4-5(8)7-3-2-6-4;;;;/h3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;2-4,9,15H,5-8H2,1H3;2-5,12H,6-9H2,1H3;1-3,6-7H,4-5,8-9H2;1-3,8,12H,4-7H2;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;4,6H,2-3H2,1H3,(H,7,8);4*1H4.

What are the key properties of 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 2696.05 g/mol, XLogP of 19.03, 17 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-methylphenoxy)piperidine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 160682575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).