piperidine-4-carbonitrile;toluene

C13H18N2 — CID 174346511

IUPACpiperidine-4-carbonitrile;toluene
SMILESCc1ccccc1.N#CC1CCNCC1
InChIInChI=1S/C7H8.C6H10N2/c1-7-5-3-2-4-6-7;7-5-6-1-3-8-4-2-6/h2-6H,1H3;6,8H,1-4H2
InChIKeyKPFNZMKQJIHTPV-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.50
Rot. Bonds

About piperidine-4-carbonitrile;toluene

piperidine-4-carbonitrile;toluene (PubChem CID 174346511) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is piperidine-4-carbonitrile;toluene.

Molecular Properties

Compound Namepiperidine-4-carbonitrile;toluene
PubChem CID174346511
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Namepiperidine-4-carbonitrile;toluene
SMILESCc1ccccc1.N#CC1CCNCC1
InChIInChI=1S/C7H8.C6H10N2/c1-7-5-3-2-4-6-7;7-5-6-1-3-8-4-2-6/h2-6H,1H3;6,8H,1-4H2
InChIKeyKPFNZMKQJIHTPV-UHFFFAOYSA-N
XLogP2.50
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine-4-carbonitrile;toluene?
The IUPAC name of piperidine-4-carbonitrile;toluene (CID 174346511) is piperidine-4-carbonitrile;toluene.
What is the SMILES notation for piperidine-4-carbonitrile;toluene?
The canonical SMILES for piperidine-4-carbonitrile;toluene is Cc1ccccc1.N#CC1CCNCC1.
What is the InChIKey of piperidine-4-carbonitrile;toluene?
The InChIKey is KPFNZMKQJIHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H10N2/c1-7-5-3-2-4-6-7;7-5-6-1-3-8-4-2-6/h2-6H,1H3;6,8H,1-4H2.
What are the key properties of piperidine-4-carbonitrile;toluene?
piperidine-4-carbonitrile;toluene has a molecular weight of 202.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carbonitrile;toluene is sourced from PubChem (CID 174346511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).