[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone

C18H19FN2O2 — CID 133136071

IUPAC[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1
InChIInChI=1S/C18H19FN2O2/c1-12-15(3-2-9-20-12)18(23)21-10-8-16(17(22)11-21)13-4-6-14(19)7-5-13/h2-7,9,16-17,22H,8,10-11H2,1H3/t16-,17+/m1/s1
InChIKeyNPTVCVBOTOFXBL-SJORKVTESA-N
MW314.36 g/mol
LogP2.52
Rot. Bonds2

About [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone

[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 133136071) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID133136071
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1
InChIInChI=1S/C18H19FN2O2/c1-12-15(3-2-9-20-12)18(23)21-10-8-16(17(22)11-21)13-4-6-14(19)7-5-13/h2-7,9,16-17,22H,8,10-11H2,1H3/t16-,17+/m1/s1
InChIKeyNPTVCVBOTOFXBL-SJORKVTESA-N
XLogP2.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone (CID 133136071) is [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1.
What is the InChIKey of [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is NPTVCVBOTOFXBL-SJORKVTESA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-15(3-2-9-20-12)18(23)21-10-8-16(17(22)11-21)13-4-6-14(19)7-5-13/h2-7,9,16-17,22H,8,10-11H2,1H3/t16-,17+/m1/s1.
What are the key properties of [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 314.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 133136071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).