1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile

C15H17FN2O — CID 66363731

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C15H17FN2O/c16-13-1-2-15-12(7-13)8-14(19-15)10-18-5-3-11(9-17)4-6-18/h1-2,7,11,14H,3-6,8,10H2
InChIKeyJUROIOZJBMKSGL-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.36
Rot. Bonds2

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile (PubChem CID 66363731) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
PubChem CID66363731
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C15H17FN2O/c16-13-1-2-15-12(7-13)8-14(19-15)10-18-5-3-11(9-17)4-6-18/h1-2,7,11,14H,3-6,8,10H2
InChIKeyJUROIOZJBMKSGL-UHFFFAOYSA-N
XLogP2.36
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile (CID 66363731) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile is N#CC1CCN(CC2Cc3cc(F)ccc3O2)CC1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile?
The InChIKey is JUROIOZJBMKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-13-1-2-15-12(7-13)8-14(19-15)10-18-5-3-11(9-17)4-6-18/h1-2,7,11,14H,3-6,8,10H2.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile has a molecular weight of 260.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 66363731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).