5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile

C16H23N3O — CID 177365537

IUPAC5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile
SMILESCCCCCN1CCC(Oc2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H23N3O/c1-2-3-4-9-19-10-7-15(8-11-19)20-16-6-5-14(12-17)18-13-16/h5-6,13,15H,2-4,7-11H2,1H3
InChIKeyJTGHUBFWXVWYNN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds6

About 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile

5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile (PubChem CID 177365537) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile
PubChem CID177365537
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile
SMILESCCCCCN1CCC(Oc2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H23N3O/c1-2-3-4-9-19-10-7-15(8-11-19)20-16-6-5-14(12-17)18-13-16/h5-6,13,15H,2-4,7-11H2,1H3
InChIKeyJTGHUBFWXVWYNN-UHFFFAOYSA-N
XLogP2.99
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
CID 115487907
5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile
CID 58495682
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]pyridine-2-carbonitrile
CID 86582431
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 162385936
3-[1-(4-hydroxybutyl)piperidin-4-yl]oxybenzonitrile
CID 111102144
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731

Frequently Asked Questions

What is the IUPAC name of 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile?
The IUPAC name of 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile (CID 177365537) is 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile?
The canonical SMILES for 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile is CCCCCN1CCC(Oc2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile?
The InChIKey is JTGHUBFWXVWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-4-9-19-10-7-15(8-11-19)20-16-6-5-14(12-17)18-13-16/h5-6,13,15H,2-4,7-11H2,1H3.
What are the key properties of 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile?
5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 177365537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).