2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile

C14H20N4O — CID 63984499

IUPAC2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
SMILESCOc1cccc(CN2CCN(C(C)C#N)CC2)n1
InChIInChI=1S/C14H20N4O/c1-12(10-15)18-8-6-17(7-9-18)11-13-4-3-5-14(16-13)19-2/h3-5,12H,6-9,11H2,1-2H3
InChIKeyMQHHKFUJTKUWAN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile

2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile (PubChem CID 63984499) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
PubChem CID63984499
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
SMILESCOc1cccc(CN2CCN(C(C)C#N)CC2)n1
InChIInChI=1S/C14H20N4O/c1-12(10-15)18-8-6-17(7-9-18)11-13-4-3-5-14(16-13)19-2/h3-5,12H,6-9,11H2,1-2H3
InChIKeyMQHHKFUJTKUWAN-UHFFFAOYSA-N
XLogP1.12
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
CID 82867144
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 94265650
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 60646822
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891261
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60673434
2-methoxy-6-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]pyridine
CID 163317237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile (CID 63984499) is 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile is COc1cccc(CN2CCN(C(C)C#N)CC2)n1.
What is the InChIKey of 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile?
The InChIKey is MQHHKFUJTKUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12(10-15)18-8-6-17(7-9-18)11-13-4-3-5-14(16-13)19-2/h3-5,12H,6-9,11H2,1-2H3.
What are the key properties of 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile?
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile has a molecular weight of 260.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63984499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).