[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C18H19FN2O2 — CID 56783963

IUPAC[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-5-3-13(4-6-16)17(22)14-7-10-21(11-8-14)18(23)15-2-1-9-20-12-15/h1-6,9,12,14,17,22H,7-8,10-11H2
InChIKeyXGIPVRMSVMCVRM-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.81
Rot. Bonds3

About [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 56783963) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID56783963
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-5-3-13(4-6-16)17(22)14-7-10-21(11-8-14)18(23)15-2-1-9-20-12-15/h1-6,9,12,14,17,22H,7-8,10-11H2
InChIKeyXGIPVRMSVMCVRM-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 56783963) is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XGIPVRMSVMCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-5-3-13(4-6-16)17(22)14-7-10-21(11-8-14)18(23)15-2-1-9-20-12-15/h1-6,9,12,14,17,22H,7-8,10-11H2.
What are the key properties of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 56783963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).