4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile

C21H28FN3O — CID 69354618

IUPAC4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1F
InChIInChI=1S/C21H28FN3O/c22-21-14-18(5-4-16(21)15-23)25-12-8-20(9-13-25)26-19-6-10-24(11-7-19)17-2-1-3-17/h4-5,14,17,19-20H,1-3,6-13H2
InChIKeyNGGWOMNGFFBIFB-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.70
Rot. Bonds4

About 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile

4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile (PubChem CID 69354618) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile
PubChem CID69354618
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1F
InChIInChI=1S/C21H28FN3O/c22-21-14-18(5-4-16(21)15-23)25-12-8-20(9-13-25)26-19-6-10-24(11-7-19)17-2-1-3-17/h4-5,14,17,19-20H,1-3,6-13H2
InChIKeyNGGWOMNGFFBIFB-UHFFFAOYSA-N
XLogP3.70
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile (CID 69354618) is 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile is N#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1F.
What is the InChIKey of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile?
The InChIKey is NGGWOMNGFFBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c22-21-14-18(5-4-16(21)15-23)25-12-8-20(9-13-25)26-19-6-10-24(11-7-19)17-2-1-3-17/h4-5,14,17,19-20H,1-3,6-13H2.
What are the key properties of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile?
4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile has a molecular weight of 357.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 69354618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).