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

C16H23FN2O — CID 66366018

IUPAC1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H23FN2O/c1-11(18)12-4-6-19(7-5-12)10-15-9-13-8-14(17)2-3-16(13)20-15/h2-3,8,11-12,15H,4-7,9-10,18H2,1H3
InChIKeyOQWRKKYTBWOLKO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.19
Rot. Bonds3

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

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 66366018) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID66366018
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2Cc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H23FN2O/c1-11(18)12-4-6-19(7-5-12)10-15-9-13-8-14(17)2-3-16(13)20-15/h2-3,8,11-12,15H,4-7,9-10,18H2,1H3
InChIKeyOQWRKKYTBWOLKO-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine (CID 66366018) is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(CC2Cc3cc(F)ccc3O2)CC1.
What is the InChIKey of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is OQWRKKYTBWOLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(18)12-4-6-19(7-5-12)10-15-9-13-8-14(17)2-3-16(13)20-15/h2-3,8,11-12,15H,4-7,9-10,18H2,1H3.
What are the key properties of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 278.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 66366018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).