1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone

C161H245F5N24O8 — CID 157467570

About 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone

1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone (PubChem CID 157467570) has the molecular formula C161H245F5N24O8 and a molecular weight of 2739.88 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
• PubChem CID: 157467570
• Molecular Formula: C161H245F5N24O8
• Molecular Weight: 2739.88 g/mol
• Exact Mass: 2737.94
• IUPAC Name: 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
• SMILES: CC(=O)c1ccc(N2CCN(C)CC2)cc1.CN1CCC(C(=O)C(F)(F)F)CC1.CN1CCC(C(=O)C2CCCCC2)CC1.CN1CCC(C(=O)N2CCCCC2)CC1.CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(c2ccc(F)cc2)CC1.CN1CCC(c2ccccc2)CC1.CN1CCC(c2ccncc2)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ccc(F)cc2)CC1.CN1CCN(c2ccccc2)CC1.CN1CCN(c2ccncc2)CC1.COc1ccc(C2CCN(C)CC2)cc1.COc1ccc(N2CCN(C)CC2)cc1
• InChI: InChI=1S/C13H18N2O.C13H19NO.C13H23NO.C12H16FN.C12H18N2O.C12H22N2O.C12H18N2.C12H17N.C11H15FN2.C11H20N2O2.2C11H16N2.C10H15N3.C8H12F3NO/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15;1-14-9-7-12(8-10-14)11-3-5-13(15-2)6-4-11;1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-13-7-9-14(10-8-13)11-3-5-12(15-2)6-4-11;1-13-9-5-11(6-10-13)12(15)14-7-3-2-4-8-14;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-13-8-4-11(5-9-13)10-2-6-12-7-3-10;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;1-12-4-2-6(3-5-12)7(13)8(9,10)11/h3-6H,7-10H2,1-2H3;3-6,12H,7-10H2,1-2H3;11-12H,2-10H2,1H3;2-5,11H,6-9H2,1H3;3-6H,7-10H2,1-2H3;11H,2-10H2,1H3;2-6H,7-11H2,1H3;2-6,12H,7-10H2,1H3;2-5H,6-9H2,1H3;10H,2-9H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-6H,7-10H2,1H3;2-5H,6-9H2,1H3;6H,2-5H2,1H3
• InChIKey: BUQROJUIVXNNCE-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 210.10 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.88
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?

The IUPAC name of 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone (CID 157467570) is 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone is CC(=O)c1ccc(N2CCN(C)CC2)cc1.CN1CCC(C(=O)C(F)(F)F)CC1.CN1CCC(C(=O)C2CCCCC2)CC1.CN1CCC(C(=O)N2CCCCC2)CC1.CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(c2ccc(F)cc2)CC1.CN1CCC(c2ccccc2)CC1.CN1CCC(c2ccncc2)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ccc(F)cc2)CC1.CN1CCN(c2ccccc2)CC1.CN1CCN(c2ccncc2)CC1.COc1ccc(C2CCN(C)CC2)cc1.COc1ccc(N2CCN(C)CC2)cc1.

What is the InChIKey of 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?

The InChIKey is BUQROJUIVXNNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H19NO.C13H23NO.C12H16FN.C12H18N2O.C12H22N2O.C12H18N2.C12H17N.C11H15FN2.C11H20N2O2.2C11H16N2.C10H15N3.C8H12F3NO/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15;1-14-9-7-12(8-10-14)11-3-5-13(15-2)6-4-11;1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11;1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-13-7-9-14(10-8-13)11-3-5-12(15-2)6-4-11;1-13-9-5-11(6-10-13)12(15)14-7-3-2-4-8-14;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-13-8-4-11(5-9-13)10-2-6-12-7-3-10;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;1-12-4-2-6(3-5-12)7(13)8(9,10)11/h3-6H,7-10H2,1-2H3;3-6,12H,7-10H2,1-2H3;11-12H,2-10H2,1H3;2-5,11H,6-9H2,1H3;3-6H,7-10H2,1-2H3;11H,2-10H2,1H3;2-6H,7-11H2,1H3;2-6,12H,7-10H2,1H3;2-5H,6-9H2,1H3;10H,2-9H2,1H3;2-3,6-7,11H,4-5,8-9H2,1H3;2-6H,7-10H2,1H3;2-5H,6-9H2,1H3;6H,2-5H2,1H3.

What are the key properties of 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone?

1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 2739.88 g/mol, XLogP of 23.36, 19 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 157467570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).