6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile

C13H18N4O2 — CID 59568649

IUPAC6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(C(O)CN2CCNCC2)ncc1C#N
InChIInChI=1S/C13H18N4O2/c1-19-13-6-11(16-8-10(13)7-14)12(18)9-17-4-2-15-3-5-17/h6,8,12,15,18H,2-5,9H2,1H3
InChIKeyRSQMGZRULQHDJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.10
Rot. Bonds4

About 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile

6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile (PubChem CID 59568649) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
PubChem CID59568649
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(C(O)CN2CCNCC2)ncc1C#N
InChIInChI=1S/C13H18N4O2/c1-19-13-6-11(16-8-10(13)7-14)12(18)9-17-4-2-15-3-5-17/h6,8,12,15,18H,2-5,9H2,1H3
InChIKeyRSQMGZRULQHDJW-UHFFFAOYSA-N
XLogP-0.10
TPSA81.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]pyridine-3-carbonitrile
CID 155249642
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
6-[(1S)-1-hydroxy-2-[1-oxo-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methoxypyridine-3-carbonitrile
CID 130470696
6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile
CID 138527999
1-(2-methoxy-5-nitrophenyl)-2-piperazin-1-ylethanol
CID 4690374
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
CID 163464520
6-[2-[4-[2-(6-cyclopropyl-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]piperazin-1-yl]-1-hydroxyethyl]-4-methoxypyridine-3-carbonitrile;5-[(1R)-2-[4-[2-(4-cyclopropyl-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]piperazin-1-yl]-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 158681350
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(3-piperazin-1-ylprop-1-ynyl)quinoline-3-carbonitrile
CID 90213024
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile (CID 59568649) is 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile is COc1cc(C(O)CN2CCNCC2)ncc1C#N.
What is the InChIKey of 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is RSQMGZRULQHDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-13-6-11(16-8-10(13)7-14)12(18)9-17-4-2-15-3-5-17/h6,8,12,15,18H,2-5,9H2,1H3.
What are the key properties of 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile?
6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 59568649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).