1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine

C56H66BrF4N9O4 — CID 87892257

IUPAC1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine
SMILESBrc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1.Fc1cc(C(F)(F)F)ccc1CN1CCC(OCc2cnc[nH]2)CC1.c1ccc(COc2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)cc1
InChIInChI=1S/C23H27N3O2.C17H19F4N3O.C16H20BrN3O/c1-2-4-20(5-3-1)16-27-22-8-6-19(7-9-22)15-26-12-10-23(11-13-26)28-17-21-14-24-18-25-21;18-16-7-13(17(19,20)21)2-1-12(16)9-24-5-3-15(4-6-24)25-10-14-8-22-11-23-14;17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-9,14,18,23H,10-13,15-17H2,(H,24,25);1-2,7-8,11,15H,3-6,9-10H2,(H,22,23);1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyBLGSGWPVGMGZMS-UHFFFAOYSA-N
MW1085.10 g/mol
LogP11.27
Rot. Bonds18

About 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine

1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine (PubChem CID 87892257) has the molecular formula C56H66BrF4N9O4 and a molecular weight of 1085.10 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine
PubChem CID87892257
Molecular FormulaC56H66BrF4N9O4
Molecular Weight1085.10 g/mol
Exact Mass1083.44
IUPAC Name1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine
SMILESBrc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1.Fc1cc(C(F)(F)F)ccc1CN1CCC(OCc2cnc[nH]2)CC1.c1ccc(COc2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)cc1
InChIInChI=1S/C23H27N3O2.C17H19F4N3O.C16H20BrN3O/c1-2-4-20(5-3-1)16-27-22-8-6-19(7-9-22)15-26-12-10-23(11-13-26)28-17-21-14-24-18-25-21;18-16-7-13(17(19,20)21)2-1-12(16)9-24-5-3-15(4-6-24)25-10-14-8-22-11-23-14;17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-9,14,18,23H,10-13,15-17H2,(H,24,25);1-2,7-8,11,15H,3-6,9-10H2,(H,22,23);1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyBLGSGWPVGMGZMS-UHFFFAOYSA-N
XLogP11.27
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.10
LogP ≤ 511.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine (CID 87892257) is 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine is Brc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1.Fc1cc(C(F)(F)F)ccc1CN1CCC(OCc2cnc[nH]2)CC1.c1ccc(COc2ccc(CN3CCC(OCc4cnc[nH]4)CC3)cc2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The InChIKey is BLGSGWPVGMGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C17H19F4N3O.C16H20BrN3O/c1-2-4-20(5-3-1)16-27-22-8-6-19(7-9-22)15-26-12-10-23(11-13-26)28-17-21-14-24-18-25-21;18-16-7-13(17(19,20)21)2-1-12(16)9-24-5-3-15(4-6-24)25-10-14-8-22-11-23-14;17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-9,14,18,23H,10-13,15-17H2,(H,24,25);1-2,7-8,11,15H,3-6,9-10H2,(H,22,23);1-4,9,12,16H,5-8,10-11H2,(H,18,19).
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine has a molecular weight of 1085.10 g/mol, XLogP of 11.27, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine;4-(1H-imidazol-5-ylmethoxy)-1-[(4-phenylmethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 87892257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).