1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine

C17H21FN2O — CID 80697555

IUPAC1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine
SMILESNC1CCN(c2c(OCCF)ccc3ccccc23)CC1
InChIInChI=1S/C17H21FN2O/c18-9-12-21-16-6-5-13-3-1-2-4-15(13)17(16)20-10-7-14(19)8-11-20/h1-6,14H,7-12,19H2
InChIKeyZPGORCSWCADTOH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine

1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine (PubChem CID 80697555) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine
PubChem CID80697555
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine
SMILESNC1CCN(c2c(OCCF)ccc3ccccc23)CC1
InChIInChI=1S/C17H21FN2O/c18-9-12-21-16-6-5-13-3-1-2-4-15(13)17(16)20-10-7-14(19)8-11-20/h1-6,14H,7-12,19H2
InChIKeyZPGORCSWCADTOH-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine (CID 80697555) is 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine is NC1CCN(c2c(OCCF)ccc3ccccc23)CC1.
What is the InChIKey of 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine?
The InChIKey is ZPGORCSWCADTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-9-12-21-16-6-5-13-3-1-2-4-15(13)17(16)20-10-7-14(19)8-11-20/h1-6,14H,7-12,19H2.
What are the key properties of 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine?
1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine has a molecular weight of 288.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine is sourced from PubChem (CID 80697555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).