(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

C24H26FN3O — CID 58394228

IUPAC(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C24H26FN3O/c25-20-10-12-22(23-19(20)8-3-13-27-23)29-24-18-7-2-1-5-16(18)9-11-21(24)28-14-4-6-17(26)15-28/h1-3,5,7-8,10,12-13,17,21,24H,4,6,9,11,14-15,26H2/t17-,21+,24+/m1/s1
InChIKeyUEFALTMDBCVDEK-GQOCTPOGSA-N
MW391.49 g/mol
LogP4.23
Rot. Bonds3

About (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58394228) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58394228
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C24H26FN3O/c25-20-10-12-22(23-19(20)8-3-13-27-23)29-24-18-7-2-1-5-16(18)9-11-21(24)28-14-4-6-17(26)15-28/h1-3,5,7-8,10,12-13,17,21,24H,4,6,9,11,14-15,26H2/t17-,21+,24+/m1/s1
InChIKeyUEFALTMDBCVDEK-GQOCTPOGSA-N
XLogP4.23
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58394228) is (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is N[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)c3cccnc23)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is UEFALTMDBCVDEK-GQOCTPOGSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-20-10-12-22(23-19(20)8-3-13-27-23)29-24-18-7-2-1-5-16(18)9-11-21(24)28-14-4-6-17(26)15-28/h1-3,5,7-8,10,12-13,17,21,24H,4,6,9,11,14-15,26H2/t17-,21+,24+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 391.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58394228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).