4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine

C73H105F7N6O4 — CID 158833327

IUPAC4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine
SMILESCC(C)N1CCC(c2ccc(F)cc2)CC1.CC(C)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1.CC(C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(C2CCN(C(C)C)CC2)cc1.Cc1ccc(OC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C15H20F3NO.2C15H23NO.C14H19F3N2O.C14H20FN/c1-11(2)19-9-7-13(8-10-19)12-3-5-14(6-4-12)20-15(16,17)18;1-12(2)16-10-8-14(9-11-16)13-4-6-15(17-3)7-5-13;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-11(2)18-7-9-19(10-8-18)12-3-5-13(6-4-12)20-14(15,16)17;1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12/h3-6,11,13H,7-10H2,1-2H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3
InChIKeyIXHYQHDLJJITPT-UHFFFAOYSA-N
MW1263.67 g/mol
LogP17.23
Rot. Bonds14

About 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine

4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 158833327) has the molecular formula C73H105F7N6O4 and a molecular weight of 1263.67 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID158833327
Molecular FormulaC73H105F7N6O4
Molecular Weight1263.67 g/mol
Exact Mass1262.81
IUPAC Name4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine
SMILESCC(C)N1CCC(c2ccc(F)cc2)CC1.CC(C)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1.CC(C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(C2CCN(C(C)C)CC2)cc1.Cc1ccc(OC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C15H20F3NO.2C15H23NO.C14H19F3N2O.C14H20FN/c1-11(2)19-9-7-13(8-10-19)12-3-5-14(6-4-12)20-15(16,17)18;1-12(2)16-10-8-14(9-11-16)13-4-6-15(17-3)7-5-13;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-11(2)18-7-9-19(10-8-18)12-3-5-13(6-4-12)20-14(15,16)17;1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12/h3-6,11,13H,7-10H2,1-2H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3
InChIKeyIXHYQHDLJJITPT-UHFFFAOYSA-N
XLogP17.23
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.67
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine with MolForge

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Related Compounds

1-(4-Methoxyphenyl)-4-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)piperazine
CID 10648046
1-(3-(Biphenyl-4-yl)-3-(4-(trifluoromethyl)phenoxy)propyl)-4-(2-methoxyphenyl)piperazine
CID 10674136
3-[4-[4-[2-[4-[4-(2,4-Dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3-tetrafluorobutan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 89880518
1,1,1,3,3,3-Hexafluoro-2,2-bis[4-[4-(3,4-dihydro-2H-1,3-benzooxazine-3-yl)phenoxy]phenyl]propane
CID 102474108
3-[4-[4-[2-[4-[4-(2,4-Dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 118013491
N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine
CID 123268237
1-[2-[4-(4-Fluorophenyl)piperidin-1-yl]-9-[4-(4-methoxyphenyl)piperidin-1-yl]-6-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]decan-3-yl]-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 132076309
N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline
CID 139670206
N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139670221
4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline
CID 139753032
bis(1-azabicyclo[2.2.2]octane);ethane;(3-fluorophenyl)-[(3-phenylmethoxyphenyl)methyl]carbamic acid;1-[N-[[3-(trifluoromethoxy)phenyl]methyl]anilino]ethenol
CID 142104163
6-[1,1,1,3,3,3-Hexafluoro-2-[3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine;methane;3-(4-methylphenyl)-6-[[3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazine;3-(4-methylphenyl)-6-[2-[3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazine
CID 157427022

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine (CID 158833327) is 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine is CC(C)N1CCC(c2ccc(F)cc2)CC1.CC(C)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1.CC(C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1.COc1ccc(C2CCN(C(C)C)CC2)cc1.Cc1ccc(OC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is IXHYQHDLJJITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO.2C15H23NO.C14H19F3N2O.C14H20FN/c1-11(2)19-9-7-13(8-10-19)12-3-5-14(6-4-12)20-15(16,17)18;1-12(2)16-10-8-14(9-11-16)13-4-6-15(17-3)7-5-13;1-12(2)16-10-8-15(9-11-16)17-14-6-4-13(3)5-7-14;1-11(2)18-7-9-19(10-8-18)12-3-5-13(6-4-12)20-14(15,16)17;1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12/h3-6,11,13H,7-10H2,1-2H3;4-7,12,14H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine?
4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 1263.67 g/mol, XLogP of 17.23, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-propan-2-ylpiperidine;4-(4-methoxyphenyl)-1-propan-2-ylpiperidine;4-(4-methylphenoxy)-1-propan-2-ylpiperidine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperazine;1-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 158833327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).