1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone

C20H23FN2O2 — CID 124618206

IUPAC1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1cnccc1CC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c1-14-13-22-9-6-17(14)12-19(24)23-10-7-16(8-11-23)20(25)15-2-4-18(21)5-3-15/h2-6,9,13,16,20,25H,7-8,10-12H2,1H3/t20-/m0/s1
InChIKeyFQOUXWQIMZMKGH-FQEVSTJZSA-N
MW342.41 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone

1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone (PubChem CID 124618206) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone
PubChem CID124618206
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1cnccc1CC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c1-14-13-22-9-6-17(14)12-19(24)23-10-7-16(8-11-23)20(25)15-2-4-18(21)5-3-15/h2-6,9,13,16,20,25H,7-8,10-12H2,1H3/t20-/m0/s1
InChIKeyFQOUXWQIMZMKGH-FQEVSTJZSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone (CID 124618206) is 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone is Cc1cnccc1CC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The InChIKey is FQOUXWQIMZMKGH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-13-22-9-6-17(14)12-19(24)23-10-7-16(8-11-23)20(25)15-2-4-18(21)5-3-15/h2-6,9,13,16,20,25H,7-8,10-12H2,1H3/t20-/m0/s1.
What are the key properties of 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone?
1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone has a molecular weight of 342.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 124618206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).