1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol

C23H21F3N2O — CID 3680160

IUPAC1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H21F3N2O/c24-23(25,26)17-9-10-21(28-12-4-1-5-13-28)20(14-17)27-15-19-18-7-3-2-6-16(18)8-11-22(19)29/h2-3,6-11,14-15,29H,1,4-5,12-13H2/b27-15+
InChIKeyXZVJTLHKTJBDNO-JFLMPSFJSA-N
MW398.43 g/mol
LogP6.31
Rot. Bonds3

About 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 3680160) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID3680160
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H21F3N2O/c24-23(25,26)17-9-10-21(28-12-4-1-5-13-28)20(14-17)27-15-19-18-7-3-2-6-16(18)8-11-22(19)29/h2-3,6-11,14-15,29H,1,4-5,12-13H2/b27-15+
InChIKeyXZVJTLHKTJBDNO-JFLMPSFJSA-N
XLogP6.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol (CID 3680160) is 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is XZVJTLHKTJBDNO-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H21F3N2O/c24-23(25,26)17-9-10-21(28-12-4-1-5-13-28)20(14-17)27-15-19-18-7-3-2-6-16(18)8-11-22(19)29/h2-3,6-11,14-15,29H,1,4-5,12-13H2/b27-15+.
What are the key properties of 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 398.43 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 3680160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).