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

C18H19N3O — CID 122136129

IUPAC2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cccc(C2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C18H19N3O/c1-22-17-6-2-4-15(12-17)14-7-10-21(11-8-14)18-16(13-19)5-3-9-20-18/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyYXOWETVVSLWANY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.35
Rot. Bonds3

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

2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 122136129) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID122136129
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cccc(C2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C18H19N3O/c1-22-17-6-2-4-15(12-17)14-7-10-21(11-8-14)18-16(13-19)5-3-9-20-18/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyYXOWETVVSLWANY-UHFFFAOYSA-N
XLogP3.35
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
CID 133279366
2-[4-(4-formyl-2,6-dimethoxyphenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 71514929
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 122136129) is 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile is COc1cccc(C2CCN(c3ncccc3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YXOWETVVSLWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-6-2-4-15(12-17)14-7-10-21(11-8-14)18-16(13-19)5-3-9-20-18/h2-6,9,12,14H,7-8,10-11H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 122136129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).