N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine

C20H20F6N2O2 — CID 90951681

IUPACN-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine
SMILESFC(F)(F)Oc1cc(CNC2CCN(c3ccccc3)CC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C20H20F6N2O2/c21-19(22,23)29-17-10-14(11-18(12-17)30-20(24,25)26)13-27-15-6-8-28(9-7-15)16-4-2-1-3-5-16/h1-5,10-12,15,27H,6-9,13H2
InChIKeyMQULXEKVDIVTNL-UHFFFAOYSA-N
MW434.38 g/mol
LogP5.24
Rot. Bonds6

About N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine

N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine (PubChem CID 90951681) has the molecular formula C20H20F6N2O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine
PubChem CID90951681
Molecular FormulaC20H20F6N2O2
Molecular Weight434.38 g/mol
Exact Mass434.14
IUPAC NameN-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine
SMILESFC(F)(F)Oc1cc(CNC2CCN(c3ccccc3)CC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C20H20F6N2O2/c21-19(22,23)29-17-10-14(11-18(12-17)30-20(24,25)26)13-27-15-6-8-28(9-7-15)16-4-2-1-3-5-16/h1-5,10-12,15,27H,6-9,13H2
InChIKeyMQULXEKVDIVTNL-UHFFFAOYSA-N
XLogP5.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine (CID 90951681) is N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine is FC(F)(F)Oc1cc(CNC2CCN(c3ccccc3)CC2)cc(OC(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine?
The InChIKey is MQULXEKVDIVTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N2O2/c21-19(22,23)29-17-10-14(11-18(12-17)30-20(24,25)26)13-27-15-6-8-28(9-7-15)16-4-2-1-3-5-16/h1-5,10-12,15,27H,6-9,13H2.
What are the key properties of N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine?
N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine has a molecular weight of 434.38 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethoxy)phenyl]methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 90951681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).