(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

C21H25FN2O — CID 58393565

IUPAC(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc(F)c2)C1
InChIInChI=1S/C21H25FN2O/c22-16-6-3-8-18(13-16)25-21-19-9-2-1-5-15(19)10-11-20(21)24-12-4-7-17(23)14-24/h1-3,5-6,8-9,13,17,20-21H,4,7,10-12,14,23H2/t17-,20+,21+/m1/s1
InChIKeyKXPLLBRTGSSTOI-QMMLZNLJSA-N
MW340.44 g/mol
LogP3.68
Rot. Bonds3

About (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58393565) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58393565
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc(F)c2)C1
InChIInChI=1S/C21H25FN2O/c22-16-6-3-8-18(13-16)25-21-19-9-2-1-5-15(19)10-11-20(21)24-12-4-7-17(23)14-24/h1-3,5-6,8-9,13,17,20-21H,4,7,10-12,14,23H2/t17-,20+,21+/m1/s1
InChIKeyKXPLLBRTGSSTOI-QMMLZNLJSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58393565) is (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is N[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is KXPLLBRTGSSTOI-QMMLZNLJSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-16-6-3-8-18(13-16)25-21-19-9-2-1-5-15(19)10-11-20(21)24-12-4-7-17(23)14-24/h1-3,5-6,8-9,13,17,20-21H,4,7,10-12,14,23H2/t17-,20+,21+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 340.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-1-(3-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).