6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile

C20H23N3O — CID 56740030

IUPAC6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H23N3O/c21-15-18-7-4-8-19(22-18)23-13-11-20(16-24,12-14-23)10-9-17-5-2-1-3-6-17/h1-8,24H,9-14,16H2
InChIKeyAFWXEXNESLVULK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.16
Rot. Bonds5

About 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56740030) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56740030
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(CO)(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H23N3O/c21-15-18-7-4-8-19(22-18)23-13-11-20(16-24,12-14-23)10-9-17-5-2-1-3-6-17/h1-8,24H,9-14,16H2
InChIKeyAFWXEXNESLVULK-UHFFFAOYSA-N
XLogP3.16
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 56740030) is 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(CO)(CCc3ccccc3)CC2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is AFWXEXNESLVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-15-18-7-4-8-19(22-18)23-13-11-20(16-24,12-14-23)10-9-17-5-2-1-3-6-17/h1-8,24H,9-14,16H2.
What are the key properties of 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56740030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).