(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C12H15FN2O2 — CID 114678232

IUPAC(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(F)c2)CCC1O
InChIInChI=1S/C12H15FN2O2/c1-8-7-15(5-3-10(8)16)12(17)9-2-4-14-11(13)6-9/h2,4,6,8,10,16H,3,5,7H2,1H3
InChIKeyVKJYAGRJWMJWNA-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.06
Rot. Bonds1

About (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114678232) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114678232
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(F)c2)CCC1O
InChIInChI=1S/C12H15FN2O2/c1-8-7-15(5-3-10(8)16)12(17)9-2-4-14-11(13)6-9/h2,4,6,8,10,16H,3,5,7H2,1H3
InChIKeyVKJYAGRJWMJWNA-UHFFFAOYSA-N
XLogP1.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
(2-fluoro-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 61295127
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
(4-hydroxy-3-methylpiperidin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 114679797
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114678232) is (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2ccnc(F)c2)CCC1O.
What is the InChIKey of (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is VKJYAGRJWMJWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-7-15(5-3-10(8)16)12(17)9-2-4-14-11(13)6-9/h2,4,6,8,10,16H,3,5,7H2,1H3.
What are the key properties of (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 238.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).