4-piperidin-4-yloxybenzonitrile

C12H14N2O — CID 11241109

IUPAC4-piperidin-4-yloxybenzonitrile
SMILESN#Cc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H14N2O/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChIKeyDRIREFRFHFBPIN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.69
Rot. Bonds2

About 4-piperidin-4-yloxybenzonitrile

4-piperidin-4-yloxybenzonitrile (PubChem CID 11241109) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-piperidin-4-yloxybenzonitrile.

Molecular Properties

Compound Name4-piperidin-4-yloxybenzonitrile
PubChem CID11241109
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-piperidin-4-yloxybenzonitrile
SMILESN#Cc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H14N2O/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChIKeyDRIREFRFHFBPIN-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxybenzonitrile?
The IUPAC name of 4-piperidin-4-yloxybenzonitrile (CID 11241109) is 4-piperidin-4-yloxybenzonitrile.
What is the SMILES notation for 4-piperidin-4-yloxybenzonitrile?
The canonical SMILES for 4-piperidin-4-yloxybenzonitrile is N#Cc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-yloxybenzonitrile?
The InChIKey is DRIREFRFHFBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14H,5-8H2.
What are the key properties of 4-piperidin-4-yloxybenzonitrile?
4-piperidin-4-yloxybenzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 11241109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).