[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

C19H17FN2O2 — CID 53384841

IUPAC[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCC(O)CC1
InChIInChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2
InChIKeyZKKOJUZGUBLAJQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.22
Rot. Bonds1

About [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 53384841) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID53384841
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCC(O)CC1
InChIInChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2
InChIKeyZKKOJUZGUBLAJQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (CID 53384841) is [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(C#Cc2cccc(F)c2)nc1)N1CCC(O)CC1.
What is the InChIKey of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZKKOJUZGUBLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2.
What are the key properties of [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 53384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).