4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride

C12H17Cl2N3 — CID 57430045

IUPAC4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride
SMILESCc1cccc(C2(C#N)CCNCC2)n1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-10-3-2-4-11(15-10)12(9-13)5-7-14-8-6-12;;/h2-4,14H,5-8H2,1H3;2*1H
InChIKeyPXAFTIBPDKSXHB-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.38
Rot. Bonds1

About 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride

4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride (PubChem CID 57430045) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride
PubChem CID57430045
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride
SMILESCc1cccc(C2(C#N)CCNCC2)n1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-10-3-2-4-11(15-10)12(9-13)5-7-14-8-6-12;;/h2-4,14H,5-8H2,1H3;2*1H
InChIKeyPXAFTIBPDKSXHB-UHFFFAOYSA-N
XLogP2.38
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride?
The IUPAC name of 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride (CID 57430045) is 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride is Cc1cccc(C2(C#N)CCNCC2)n1.Cl.Cl.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride?
The InChIKey is PXAFTIBPDKSXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-10-3-2-4-11(15-10)12(9-13)5-7-14-8-6-12;;/h2-4,14H,5-8H2,1H3;2*1H.
What are the key properties of 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride?
4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride has a molecular weight of 274.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)piperidine-4-carbonitrile;dihydrochloride is sourced from PubChem (CID 57430045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).