5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile

C12H15N3 — CID 79839657

IUPAC5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C12H15N3/c1-10-4-6-15(7-5-10)12-3-2-11(8-13)14-9-12/h2-3,9-10H,4-7H2,1H3
InChIKeyMOOMJQWGSDAUJS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.19
Rot. Bonds1

About 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile

5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 79839657) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID79839657
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C12H15N3/c1-10-4-6-15(7-5-10)12-3-2-11(8-13)14-9-12/h2-3,9-10H,4-7H2,1H3
InChIKeyMOOMJQWGSDAUJS-UHFFFAOYSA-N
XLogP2.19
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133338678
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115680930
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile (CID 79839657) is 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is MOOMJQWGSDAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-6-15(7-5-10)12-3-2-11(8-13)14-9-12/h2-3,9-10H,4-7H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile?
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 79839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).