2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine

C14H21FN2O — CID 170886569

IUPAC2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c15-13-9-11(3-6-16)1-2-14(13)18-10-12-4-7-17-8-5-12/h1-2,9,12,17H,3-8,10,16H2
InChIKeyURWQKJRNNMJFEH-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine

2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine (PubChem CID 170886569) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
PubChem CID170886569
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c15-13-9-11(3-6-16)1-2-14(13)18-10-12-4-7-17-8-5-12/h1-2,9,12,17H,3-8,10,16H2
InChIKeyURWQKJRNNMJFEH-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine (CID 170886569) is 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine is NCCc1ccc(OCC2CCNCC2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is URWQKJRNNMJFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-13-9-11(3-6-16)1-2-14(13)18-10-12-4-7-17-8-5-12/h1-2,9,12,17H,3-8,10,16H2.
What are the key properties of 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 170886569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).