4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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

C191H281Cl4F5N40O9S — CID 158950706

About 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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

4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 (PubChem CID 158950706) has the molecular formula C191H281Cl4F5N40O9S and a molecular weight of 3550.49 g/mol. Its IUPAC name is 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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.

Molecular Properties

• Compound Name: 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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
• PubChem CID: 158950706
• Molecular Formula: C191H281Cl4F5N40O9S
• Molecular Weight: 3550.49 g/mol
• Exact Mass: 3546.12
• IUPAC Name: 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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
• SMILES: C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC1NCCNC1=O.CN1CCN(c2ncccn2)CC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Clc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.Fc1ccc(OC2CCCNC2)c(Cl)c1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1
• InChI: InChI=1S/C13H20N2.C12H17N.C11H13ClFNO.C11H15ClN2.C11H15F2N3.C11H14FNO.C11H16N2.C11H13NO.2C10H13ClN2.C10H12FN.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C5H10N2O/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;1-11(12,13)9-3-2-4-10(15-9)16-7-5-14-6-8-16;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;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;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;1-12-5-7-13(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;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h3-6,12,14H,7-10H2,1-2H3;1-5,12-13H,6-10H2;3-4,6,9,14H,1-2,5,7H2;6-8,13H,2-5H2,1H3;2-4,14H,5-8H2,1H3;1-3,8,10,13H,4-7H2;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;3-5,8H,1-2,6-7H2;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;8H,2-6H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8)
• InChIKey: JLJSPQGFPNNGTO-UHFFFAOYSA-N
• XLogP: 22.77
• TPSA: 476.69 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3550.49
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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?

The IUPAC name of 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 (CID 158950706) is 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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.

What is the SMILES notation for 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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?

The canonical SMILES for 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 is C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC1NCCNC1=O.CN1CCN(c2ncccn2)CC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Clc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.Fc1ccc(OC2CCCNC2)c(Cl)c1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(c1ccccc1)N1CCCC1.O=C(c1ccccc1)N1CCOC1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1.c1cnc(N2CCNCC2)nc1.

What is the InChIKey of 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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?

The InChIKey is JLJSPQGFPNNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H17N.C11H13ClFNO.C11H15ClN2.C11H15F2N3.C11H14FNO.C11H16N2.C11H13NO.2C10H13ClN2.C10H12FN.C10H11NO2.C9H14N4.C9H18N2.2C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C5H10N2O/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;1-11(12,13)9-3-2-4-10(15-9)16-7-5-14-6-8-16;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;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;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;1-12-5-7-13(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;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h3-6,12,14H,7-10H2,1-2H3;1-5,12-13H,6-10H2;3-4,6,9,14H,1-2,5,7H2;6-8,13H,2-5H2,1H3;2-4,14H,5-8H2,1H3;1-3,8,10,13H,4-7H2;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;3-5,8H,1-2,6-7H2;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;8H,2-6H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8).

What are the key properties of 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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?

4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 has a molecular weight of 3550.49 g/mol, XLogP of 22.77, 24 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzylpiperidine;3-(2-chloro-4-fluorophenoxy)piperidine;1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;2-(4-methylpiperazin-1-yl)pyrimidine;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 is sourced from PubChem (CID 158950706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).