bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol

C116H141F5N18O3 — CID 158137190

IUPACbis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.CN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.CN1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CCC1.CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4.2C20H23FN4.C19H21F2NO.C19H23NO.C17H26N4O/c1-24-12-4-14-25(15-5-13-24)21-23-19-6-2-3-7-20(19)26(21)16-17-8-10-18(22)11-9-17;1-24-12-10-17(11-13-24)22-20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-12-10-16(11-13-22)19(23,14-2-6-17(20)7-3-14)15-4-8-18(21)9-5-15;1-20-14-12-18(13-15-20)19(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h2-3,6-11H,4-5,12-16H2,1H3;2-9,17H,10-14H2,1H3,(H,22,23);2-9,17,22H,10-14H2,1H3;2-9,16,23H,10-13H2,1H3;2-11,18,21H,12-15H2,1H3;4-5,7-8H,3,6,9-14H2,1-2H3
InChIKeyFTMFQWLRHLAPJU-UHFFFAOYSA-N
MW1930.52 g/mol
LogP19.92
Rot. Bonds22

About bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol

bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol (PubChem CID 158137190) has the molecular formula C116H141F5N18O3 and a molecular weight of 1930.52 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol
PubChem CID158137190
Molecular FormulaC116H141F5N18O3
Molecular Weight1930.52 g/mol
Exact Mass1929.14
IUPAC Namebis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.CN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.CN1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CCC1.CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4.2C20H23FN4.C19H21F2NO.C19H23NO.C17H26N4O/c1-24-12-4-14-25(15-5-13-24)21-23-19-6-2-3-7-20(19)26(21)16-17-8-10-18(22)11-9-17;1-24-12-10-17(11-13-24)22-20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-12-10-16(11-13-22)19(23,14-2-6-17(20)7-3-14)15-4-8-18(21)9-5-15;1-20-14-12-18(13-15-20)19(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h2-3,6-11H,4-5,12-16H2,1H3;2-9,17H,10-14H2,1H3,(H,22,23);2-9,17,22H,10-14H2,1H3;2-9,16,23H,10-13H2,1H3;2-11,18,21H,12-15H2,1H3;4-5,7-8H,3,6,9-14H2,1-2H3
InChIKeyFTMFQWLRHLAPJU-UHFFFAOYSA-N
XLogP19.92
TPSA170.95 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms142
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.52
LogP ≤ 519.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol?
The IUPAC name of bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol (CID 158137190) is bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol.
What is the SMILES notation for bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol?
The canonical SMILES for bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol is CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.CN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.CN1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CCC1.CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol?
The InChIKey is FTMFQWLRHLAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4.2C20H23FN4.C19H21F2NO.C19H23NO.C17H26N4O/c1-24-12-4-14-25(15-5-13-24)21-23-19-6-2-3-7-20(19)26(21)16-17-8-10-18(22)11-9-17;1-24-12-10-17(11-13-24)22-20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;1-22-12-10-16(11-13-22)19(23,14-2-6-17(20)7-3-14)15-4-8-18(21)9-5-15;1-20-14-12-18(13-15-20)19(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h2-3,6-11H,4-5,12-16H2,1H3;2-9,17H,10-14H2,1H3,(H,22,23);2-9,17,22H,10-14H2,1H3;2-9,16,23H,10-13H2,1H3;2-11,18,21H,12-15H2,1H3;4-5,7-8H,3,6,9-14H2,1-2H3.
What are the key properties of bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol?
bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol has a molecular weight of 1930.52 g/mol, XLogP of 19.92, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanol;1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole;1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-2-(5-methyl-1,5-diazocan-1-yl)benzimidazole;1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine;(1-methylpiperidin-4-yl)-diphenylmethanol is sourced from PubChem (CID 158137190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).