6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

C19H20FN3O — CID 56743972

IUPAC6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H20FN3O/c20-16-4-1-3-15(11-16)12-19(14-24)7-9-23(10-8-19)18-6-2-5-17(13-21)22-18/h1-6,11,24H,7-10,12,14H2
InChIKeyMBZNNSOOXYQICC-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.91
Rot. Bonds4

About 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56743972) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56743972
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H20FN3O/c20-16-4-1-3-15(11-16)12-19(14-24)7-9-23(10-8-19)18-6-2-5-17(13-21)22-18/h1-6,11,24H,7-10,12,14H2
InChIKeyMBZNNSOOXYQICC-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-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 56743972) is 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MBZNNSOOXYQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-4-1-3-15(11-16)12-19(14-24)7-9-23(10-8-19)18-6-2-5-17(13-21)22-18/h1-6,11,24H,7-10,12,14H2.
What are the key properties of 6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-[(3-fluorophenyl)methyl]-4-(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-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56743972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).