4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile

C15H21N3O — CID 114338053

IUPAC4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(O)CC1CCCCN1Cc1ccnc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-12(19)8-15-4-2-3-7-18(15)11-13-5-6-17-14(9-13)10-16/h5-6,9,12,15,19H,2-4,7-8,11H2,1H3
InChIKeyGGXHEZVUXQHMOD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds4

About 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile

4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 114338053) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID114338053
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(O)CC1CCCCN1Cc1ccnc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-12(19)8-15-4-2-3-7-18(15)11-13-5-6-17-14(9-13)10-16/h5-6,9,12,15,19H,2-4,7-8,11H2,1H3
InChIKeyGGXHEZVUXQHMOD-UHFFFAOYSA-N
XLogP2.08
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (CID 114338053) is 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is CC(O)CC1CCCCN1Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is GGXHEZVUXQHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(19)8-15-4-2-3-7-18(15)11-13-5-6-17-14(9-13)10-16/h5-6,9,12,15,19H,2-4,7-8,11H2,1H3.
What are the key properties of 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 114338053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).