2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

C14H20N4O — CID 56778013

IUPAC2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(O)CN1CCN(c2ncccc2C#N)CC1C
InChIInChI=1S/C14H20N4O/c1-11-9-18(7-6-17(11)10-12(2)19)14-13(8-15)4-3-5-16-14/h3-5,11-12,19H,6-7,9-10H2,1-2H3
InChIKeyFOPIEQMOGFUDIN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56778013) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56778013
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(O)CN1CCN(c2ncccc2C#N)CC1C
InChIInChI=1S/C14H20N4O/c1-11-9-18(7-6-17(11)10-12(2)19)14-13(8-15)4-3-5-16-14/h3-5,11-12,19H,6-7,9-10H2,1-2H3
InChIKeyFOPIEQMOGFUDIN-UHFFFAOYSA-N
XLogP0.84
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
6-Morpholinonicotinonitrile
CID 2737021
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
2-(Morpholin-4-yl)pyridine-3-carbonitrile
CID 2763852
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
CID 11175610
2-[4-[(3Z)-3-hydroxyimino-3-phenylpropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 11439072
(E)-2-[4-(3-ethoxyimino-3-phenylpropyl)piperazin-1-yl]nicotinonitrile
CID 11849734
2-[4-[(3E)-3-hydroxyimino-3-phenylpropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 44415054
2-(4-(3-(Dimethylamino)-6-(pyridin-4-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46230175
[1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylideneaminooxy]-acetonitrile
CID 11849229
[1-(4-Cyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89494625
6-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)propanoyl]-3-(hydroxymethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 162370451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 56778013) is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is CC(O)CN1CCN(c2ncccc2C#N)CC1C.
What is the InChIKey of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FOPIEQMOGFUDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-9-18(7-6-17(11)10-12(2)19)14-13(8-15)4-3-5-16-14/h3-5,11-12,19H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56778013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).