2-methyl-4-(piperidin-1-ylamino)benzonitrile

C13H17N3 — CID 83016142

IUPAC2-methyl-4-(piperidin-1-ylamino)benzonitrile
SMILESCc1cc(NN2CCCCC2)ccc1C#N
InChIInChI=1S/C13H17N3/c1-11-9-13(6-5-12(11)10-14)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyRZEJXYNGMHKTTE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.68
Rot. Bonds2

About 2-methyl-4-(piperidin-1-ylamino)benzonitrile

2-methyl-4-(piperidin-1-ylamino)benzonitrile (PubChem CID 83016142) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-1-ylamino)benzonitrile.

Molecular Properties

Compound Name2-methyl-4-(piperidin-1-ylamino)benzonitrile
PubChem CID83016142
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-4-(piperidin-1-ylamino)benzonitrile
SMILESCc1cc(NN2CCCCC2)ccc1C#N
InChIInChI=1S/C13H17N3/c1-11-9-13(6-5-12(11)10-14)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyRZEJXYNGMHKTTE-UHFFFAOYSA-N
XLogP2.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-1-ylamino)benzonitrile?
The IUPAC name of 2-methyl-4-(piperidin-1-ylamino)benzonitrile (CID 83016142) is 2-methyl-4-(piperidin-1-ylamino)benzonitrile.
What is the SMILES notation for 2-methyl-4-(piperidin-1-ylamino)benzonitrile?
The canonical SMILES for 2-methyl-4-(piperidin-1-ylamino)benzonitrile is Cc1cc(NN2CCCCC2)ccc1C#N.
What is the InChIKey of 2-methyl-4-(piperidin-1-ylamino)benzonitrile?
The InChIKey is RZEJXYNGMHKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-9-13(6-5-12(11)10-14)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-1-ylamino)benzonitrile?
2-methyl-4-(piperidin-1-ylamino)benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-1-ylamino)benzonitrile is sourced from PubChem (CID 83016142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).