5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile

C24H30FN3O — CID 20727020

IUPAC5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
SMILESCC(C#N)(CCCN1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-24(20-26,21-6-3-2-4-7-21)12-5-13-27-14-16-28(17-15-27)18-19-29-23-10-8-22(25)9-11-23/h2-4,6-11H,5,12-19H2,1H3
InChIKeyPSPQEAQHFXAAHR-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.08
Rot. Bonds9

About 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile

5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile (PubChem CID 20727020) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
PubChem CID20727020
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
SMILESCC(C#N)(CCCN1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-24(20-26,21-6-3-2-4-7-21)12-5-13-27-14-16-28(17-15-27)18-19-29-23-10-8-22(25)9-11-23/h2-4,6-11H,5,12-19H2,1H3
InChIKeyPSPQEAQHFXAAHR-UHFFFAOYSA-N
XLogP4.08
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile;hydrochloride
CID 22718242
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-(3-fluorophenyl)-2-propan-2-ylpentanenitrile
CID 22718338
2-methyl-5-(4-methylphenoxy)-2-phenylpentanenitrile
CID 82137390
2-methyl-6-(4-methylphenoxy)-2-phenylhexanenitrile
CID 82137397
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-[4-[(Z)-hydroxyiminomethyl]phenyl]-2-propan-2-ylpentanenitrile
CID 87888010
2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate
CID 22718374
CID 163654273
CID 163654273
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile?
The IUPAC name of 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile (CID 20727020) is 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile.
What is the SMILES notation for 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile?
The canonical SMILES for 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile is CC(C#N)(CCCN1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile?
The InChIKey is PSPQEAQHFXAAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-24(20-26,21-6-3-2-4-7-21)12-5-13-27-14-16-28(17-15-27)18-19-29-23-10-8-22(25)9-11-23/h2-4,6-11H,5,12-19H2,1H3.
What are the key properties of 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile?
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile has a molecular weight of 395.52 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile is sourced from PubChem (CID 20727020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).