(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C12H15FN2O2 — CID 64950702

IUPAC(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCCC1CO
InChIInChI=1S/C12H15FN2O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8H2
InChIKeyVQKHOJQLAPNITF-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.21
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 64950702) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID64950702
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCCC1CO
InChIInChI=1S/C12H15FN2O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8H2
InChIKeyVQKHOJQLAPNITF-UHFFFAOYSA-N
XLogP1.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 105069483
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
CID 64949689
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 164642836
(2-fluoro-4-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86819333
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 64950702) is (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccncc1F)N1CCCCC1CO.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VQKHOJQLAPNITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-7-14-5-4-10(11)12(17)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 238.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 64950702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).