1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile

C13H21N3 — CID 79558167

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c14-7-13-8-15-3-4-16(13)9-12-6-10-1-2-11(12)5-10/h10-13,15H,1-6,8-9H2
InChIKeyYMKCUHZEHGGRAI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile

1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile (PubChem CID 79558167) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile
PubChem CID79558167
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c14-7-13-8-15-3-4-16(13)9-12-6-10-1-2-11(12)5-10/h10-13,15H,1-6,8-9H2
InChIKeyYMKCUHZEHGGRAI-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile (CID 79558167) is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile is N#CC1CNCCN1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile?
The InChIKey is YMKCUHZEHGGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-7-13-8-15-3-4-16(13)9-12-6-10-1-2-11(12)5-10/h10-13,15H,1-6,8-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile?
1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile has a molecular weight of 219.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79558167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).