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

C21H23FN2O2 — CID 71819247

IUPAC(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1cccnc1F)C1CCN(C2Cc3ccccc3C[C@@H]2O)CC1
InChIInChI=1S/C21H23FN2O2/c22-21-17(6-3-9-23-21)20(26)14-7-10-24(11-8-14)18-12-15-4-1-2-5-16(15)13-19(18)25/h1-6,9,14,18-19,25H,7-8,10-13H2/t18?,19-/m0/s1
InChIKeyKRLKCIZEBPFNDM-GGYWPGCISA-N
MW354.43 g/mol
LogP2.64
Rot. Bonds3

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

(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone (PubChem CID 71819247) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
PubChem CID71819247
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1cccnc1F)C1CCN(C2Cc3ccccc3C[C@@H]2O)CC1
InChIInChI=1S/C21H23FN2O2/c22-21-17(6-3-9-23-21)20(26)14-7-10-24(11-8-14)18-12-15-4-1-2-5-16(15)13-19(18)25/h1-6,9,14,18-19,25H,7-8,10-13H2/t18?,19-/m0/s1
InChIKeyKRLKCIZEBPFNDM-GGYWPGCISA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-pyridin-3-ylmethanone;oxalic acid
CID 71817330
[3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid
CID 88545591
cycloheptyl-(2-fluoro-3-pyridinyl)methanone
CID 69292771
(5-fluoro-3-pyridinyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 58556871
[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 67993152
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 46197671
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide
CID 114037815
(2R,3R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 122181075
[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197563
bis[3-[4-(5-fluoropyridine-3-carbonyl)piperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] oxalate
CID 123951779
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197332

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone (CID 71819247) is (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone is O=C(c1cccnc1F)C1CCN(C2Cc3ccccc3C[C@@H]2O)CC1.
What is the InChIKey of (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
The InChIKey is KRLKCIZEBPFNDM-GGYWPGCISA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-21-17(6-3-9-23-21)20(26)14-7-10-24(11-8-14)18-12-15-4-1-2-5-16(15)13-19(18)25/h1-6,9,14,18-19,25H,7-8,10-13H2/t18?,19-/m0/s1.
What are the key properties of (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone?
(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 71819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).