4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile

C13H14N4 — CID 117013111

IUPAC4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
SMILESN#Cc1cccc(N2CCC(N)(C#N)CC2)c1
InChIInChI=1S/C13H14N4/c14-9-11-2-1-3-12(8-11)17-6-4-13(16,10-15)5-7-17/h1-3,8H,4-7,16H2
InChIKeyKPOIWSNQOFEZHF-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.38
Rot. Bonds1

About 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile

4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile (PubChem CID 117013111) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
PubChem CID117013111
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
SMILESN#Cc1cccc(N2CCC(N)(C#N)CC2)c1
InChIInChI=1S/C13H14N4/c14-9-11-2-1-3-12(8-11)17-6-4-13(16,10-15)5-7-17/h1-3,8H,4-7,16H2
InChIKeyKPOIWSNQOFEZHF-UHFFFAOYSA-N
XLogP1.38
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile (CID 117013111) is 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile is N#Cc1cccc(N2CCC(N)(C#N)CC2)c1.
What is the InChIKey of 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile?
The InChIKey is KPOIWSNQOFEZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-9-11-2-1-3-12(8-11)17-6-4-13(16,10-15)5-7-17/h1-3,8H,4-7,16H2.
What are the key properties of 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile?
4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117013111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).