1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile

C22H24F2N2O — CID 10384538

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O/c1-22(16-25)10-12-26(13-11-22)14-15-27-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,21H,10-15H2,1H3
InChIKeyYQMLCMAZQFPGNH-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.70
Rot. Bonds6

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 10384538) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
PubChem CID10384538
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O/c1-22(16-25)10-12-26(13-11-22)14-15-27-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,21H,10-15H2,1H3
InChIKeyYQMLCMAZQFPGNH-UHFFFAOYSA-N
XLogP4.70
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile (CID 10384538) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is YQMLCMAZQFPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c1-22(16-25)10-12-26(13-11-22)14-15-27-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18/h2-9,21H,10-15H2,1H3.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 370.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 10384538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).