4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C180H262Cl3F4N27O13S2 — CID 157080998

About 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 157080998) has the molecular formula C180H262Cl3F4N27O13S2 and a molecular weight of 3258.74 g/mol. Its IUPAC name is 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 157080998
• Molecular Formula: C180H262Cl3F4N27O13S2
• Molecular Weight: 3258.74 g/mol
• Exact Mass: 3254.91
• IUPAC Name: 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(c1ccc(Cl)cc1)N1CCNCC1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1cnc(N2CCNCC2)cn1
• InChI: InChI=1S/C12H17ClN2.C12H15NO.C12H17NO.C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15NO.C11H15N.C10H12Cl2N2.C10H12F3N3.C10H13NO.C8H12N4.C8H8O.C7H14N2O.C7H16N2.C6H12N2O2.C6H13NO2S.C4H9NS/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;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;1-2-4-11(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;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-11-8(7-10-1)12-5-3-9-4-6-12;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;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6;1-3-6-4-2-5-1/h2-5,10,14H,6-9H2,1H3;1-3,6-7,11H,4-5,8-9H2,(H,13,14);1-5H,6-11H2;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;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-3,14H,4-7H2;1-5H,6-9H2;1-2,7,9H,3-6H2;1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3;5H,1-4H2
• InChIKey: ADNPBBFAIQWBJE-UHFFFAOYSA-N
• XLogP: 26.53
• TPSA: 381.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3258.74
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 157080998) is 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(c1ccc(Cl)cc1)N1CCNCC1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1cnc(N2CCNCC2)cn1.

What is the InChIKey of 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is ADNPBBFAIQWBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C12H15NO.C12H17NO.C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15NO.C11H15N.C10H12Cl2N2.C10H12F3N3.C10H13NO.C8H12N4.C8H8O.C7H14N2O.C7H16N2.C6H12N2O2.C6H13NO2S.C4H9NS/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;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;1-2-4-11(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;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-11-8(7-10-1)12-5-3-9-4-6-12;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;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6;1-3-6-4-2-5-1/h2-5,10,14H,6-9H2,1H3;1-3,6-7,11H,4-5,8-9H2,(H,13,14);1-5H,6-11H2;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;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-3,14H,4-7H2;1-5H,6-9H2;1-2,7,9H,3-6H2;1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3;5H,1-4H2.

What are the key properties of 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?

4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 3258.74 g/mol, XLogP of 26.53, 24 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzylmorpholine;4-benzylpiperidine;1-[1-(4-chlorophenyl)ethyl]piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;thiomorpholine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 157080998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).