1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine

C141H209Cl2FN16O9S — CID 157499975

About 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine

1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine (PubChem CID 157499975) has the molecular formula C141H209Cl2FN16O9S and a molecular weight of 2394.30 g/mol. Its IUPAC name is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine
• PubChem CID: 157499975
• Molecular Formula: C141H209Cl2FN16O9S
• Molecular Weight: 2394.30 g/mol
• Exact Mass: 2391.55
• IUPAC Name: 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine
• SMILES: C#CC1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2
• InChI: InChI=1S/C12H17NO.2C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15N.C10H12Cl2N2.C10H13NO.C8H8O.C7H14N2O.C7H16N2.C7H11N.C6H13NO2S.C5H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-10(8,9)6-2-4-7-5-3-6;1-2-4-6-5-3-1/h1-5H,6-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-5H,6-9H2;1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;6-7H,2-5H2,1H3;6H,1-5H2
• InChIKey: BYHDYRCPWQVWGM-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 228.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.30
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine?

The IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine (CID 157499975) is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine.

What is the SMILES notation for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine?

The canonical SMILES for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine is C#CC1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2.

What is the InChIKey of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine?

The InChIKey is BYHDYRCPWQVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15N.C10H12Cl2N2.C10H13NO.C8H8O.C7H14N2O.C7H16N2.C7H11N.C6H13NO2S.C5H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-10(8,9)6-2-4-7-5-3-6;1-2-4-6-5-3-1/h1-5H,6-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-5H,6-9H2;1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;6-7H,2-5H2,1H3;6H,1-5H2.

What are the key properties of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine?

1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine has a molecular weight of 2394.30 g/mol, XLogP of 23.02, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine is sourced from PubChem (CID 157499975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).