N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine

C15H21FN2O — CID 141076332

IUPACN-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine
SMILESFC1CCN(CCNC2=CC=C3COC=C3C2)CC1
InChIInChI=1S/C15H21FN2O/c16-14-3-6-18(7-4-14)8-5-17-15-2-1-12-10-19-11-13(12)9-15/h1-2,11,14,17H,3-10H2
InChIKeyCKXVHKYMOOVWOF-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine

N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine (PubChem CID 141076332) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine
PubChem CID141076332
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine
SMILESFC1CCN(CCNC2=CC=C3COC=C3C2)CC1
InChIInChI=1S/C15H21FN2O/c16-14-3-6-18(7-4-14)8-5-17-15-2-1-12-10-19-11-13(12)9-15/h1-2,11,14,17H,3-10H2
InChIKeyCKXVHKYMOOVWOF-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine (CID 141076332) is N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine is FC1CCN(CCNC2=CC=C3COC=C3C2)CC1.
What is the InChIKey of N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine?
The InChIKey is CKXVHKYMOOVWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-3-6-18(7-4-14)8-5-17-15-2-1-12-10-19-11-13(12)9-15/h1-2,11,14,17H,3-10H2.
What are the key properties of N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine?
N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine has a molecular weight of 264.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 141076332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).