6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

C19H20FN3O — CID 56752249

IUPAC6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC(CO)(Cc3ccccc3F)C2)n1
InChIInChI=1S/C19H20FN3O/c20-17-7-2-1-5-15(17)11-19(14-24)9-4-10-23(13-19)18-8-3-6-16(12-21)22-18/h1-3,5-8,24H,4,9-11,13-14H2
InChIKeyAKLCLANCQCLUGI-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.91
Rot. Bonds4

About 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56752249) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56752249
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC(CO)(Cc3ccccc3F)C2)n1
InChIInChI=1S/C19H20FN3O/c20-17-7-2-1-5-15(17)11-19(14-24)9-4-10-23(13-19)18-8-3-6-16(12-21)22-18/h1-3,5-8,24H,4,9-11,13-14H2
InChIKeyAKLCLANCQCLUGI-UHFFFAOYSA-N
XLogP2.91
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 56752249) is 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCCC(CO)(Cc3ccccc3F)C2)n1.
What is the InChIKey of 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is AKLCLANCQCLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-17-7-2-1-5-15(17)11-19(14-24)9-4-10-23(13-19)18-8-3-6-16(12-21)22-18/h1-3,5-8,24H,4,9-11,13-14H2.
What are the key properties of 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 325.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56752249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).