3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile

C12H16N4O — CID 82817295

IUPAC3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCCC2CO)c1N
InChIInChI=1S/C12H16N4O/c13-7-9-4-5-15-12(11(9)14)16-6-2-1-3-10(16)8-17/h4-5,10,17H,1-3,6,8,14H2
InChIKeyPRPPPUQGCFKLTE-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.89
Rot. Bonds2

About 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile

3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 82817295) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID82817295
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCCC2CO)c1N
InChIInChI=1S/C12H16N4O/c13-7-9-4-5-15-12(11(9)14)16-6-2-1-3-10(16)8-17/h4-5,10,17H,1-3,6,8,14H2
InChIKeyPRPPPUQGCFKLTE-UHFFFAOYSA-N
XLogP0.89
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 82817295) is 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCCCC2CO)c1N.
What is the InChIKey of 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is PRPPPUQGCFKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-7-9-4-5-15-12(11(9)14)16-6-2-1-3-10(16)8-17/h4-5,10,17H,1-3,6,8,14H2.
What are the key properties of 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile?
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 82817295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).