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

C15H21FN2O — CID 66364320

IUPAC[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O/c16-12-4-5-15-11(7-12)8-14(19-15)10-18-6-2-1-3-13(18)9-17/h4-5,7,13-14H,1-3,6,8-10,17H2
InChIKeyNQXPHFXOJLHBJA-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.94
Rot. Bonds3

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

[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 66364320) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
PubChem CID66364320
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O/c16-12-4-5-15-11(7-12)8-14(19-15)10-18-6-2-1-3-13(18)9-17/h4-5,7,13-14H,1-3,6,8-10,17H2
InChIKeyNQXPHFXOJLHBJA-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine (CID 66364320) is [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is NQXPHFXOJLHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-12-4-5-15-11(7-12)8-14(19-15)10-18-6-2-1-3-13(18)9-17/h4-5,7,13-14H,1-3,6,8-10,17H2.
What are the key properties of [1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine?
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 264.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 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]piperidin-2-yl]methanamine is sourced from PubChem (CID 66364320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).