[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone

C23H27FN2O3 — CID 73356688

IUPAC[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C23H27FN2O3/c24-9-13-29-21-6-3-10-25-22(21)23(28)16-7-11-26(12-8-16)19-14-17-4-1-2-5-18(17)15-20(19)27/h1-6,10,16,19-20,27H,7-9,11-15H2/t19-,20-/m1/s1
InChIKeyOJZJJTRELXNKFW-WOJBJXKFSA-N
MW398.48 g/mol
LogP2.85
Rot. Bonds6

About [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone

[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone (PubChem CID 73356688) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
PubChem CID73356688
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
InChIInChI=1S/C23H27FN2O3/c24-9-13-29-21-6-3-10-25-22(21)23(28)16-7-11-26(12-8-16)19-14-17-4-1-2-5-18(17)15-20(19)27/h1-6,10,16,19-20,27H,7-9,11-15H2/t19-,20-/m1/s1
InChIKeyOJZJJTRELXNKFW-WOJBJXKFSA-N
XLogP2.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The IUPAC name of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone (CID 73356688) is [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone is O=C(c1ncccc1OCCF)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1.
What is the InChIKey of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The InChIKey is OJZJJTRELXNKFW-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-9-13-29-21-6-3-10-25-22(21)23(28)16-7-11-26(12-8-16)19-14-17-4-1-2-5-18(17)15-20(19)27/h1-6,10,16,19-20,27H,7-9,11-15H2/t19-,20-/m1/s1.
What are the key properties of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 73356688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).