1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine

C17H21FN2O — CID 80697557

IUPAC1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc3cc(OCCF)ccc3c2)CC1
InChIInChI=1S/C17H21FN2O/c18-7-10-21-17-4-2-13-11-16(3-1-14(13)12-17)20-8-5-15(19)6-9-20/h1-4,11-12,15H,5-10,19H2
InChIKeyLFMDQHMQMNSTFI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.12
Rot. Bonds4

About 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine

1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine (PubChem CID 80697557) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine
PubChem CID80697557
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc3cc(OCCF)ccc3c2)CC1
InChIInChI=1S/C17H21FN2O/c18-7-10-21-17-4-2-13-11-16(3-1-14(13)12-17)20-8-5-15(19)6-9-20/h1-4,11-12,15H,5-10,19H2
InChIKeyLFMDQHMQMNSTFI-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-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine (CID 80697557) is 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine is NC1CCN(c2ccc3cc(OCCF)ccc3c2)CC1.
What is the InChIKey of 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine?
The InChIKey is LFMDQHMQMNSTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-7-10-21-17-4-2-13-11-16(3-1-14(13)12-17)20-8-5-15(19)6-9-20/h1-4,11-12,15H,5-10,19H2.
What are the key properties of 1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine?
1-[6-(2-fluoroethoxy)naphthalen-2-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-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine is sourced from PubChem (CID 80697557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).