2-chloro-6-piperidin-4-yloxybenzonitrile

C12H13ClN2O — CID 62497393

IUPAC2-chloro-6-piperidin-4-yloxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OC1CCNCC1
InChIInChI=1S/C12H13ClN2O/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,15H,4-7H2
InChIKeyRAXFHHFAZXEYCI-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-6-piperidin-4-yloxybenzonitrile

2-chloro-6-piperidin-4-yloxybenzonitrile (PubChem CID 62497393) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-6-piperidin-4-yloxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-piperidin-4-yloxybenzonitrile
PubChem CID62497393
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-6-piperidin-4-yloxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OC1CCNCC1
InChIInChI=1S/C12H13ClN2O/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,15H,4-7H2
InChIKeyRAXFHHFAZXEYCI-UHFFFAOYSA-N
XLogP2.34
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperidin-4-yloxybenzonitrile?
The IUPAC name of 2-chloro-6-piperidin-4-yloxybenzonitrile (CID 62497393) is 2-chloro-6-piperidin-4-yloxybenzonitrile.
What is the SMILES notation for 2-chloro-6-piperidin-4-yloxybenzonitrile?
The canonical SMILES for 2-chloro-6-piperidin-4-yloxybenzonitrile is N#Cc1c(Cl)cccc1OC1CCNCC1.
What is the InChIKey of 2-chloro-6-piperidin-4-yloxybenzonitrile?
The InChIKey is RAXFHHFAZXEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,15H,4-7H2.
What are the key properties of 2-chloro-6-piperidin-4-yloxybenzonitrile?
2-chloro-6-piperidin-4-yloxybenzonitrile has a molecular weight of 236.70 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 62497393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).