2-piperazin-1-yl-6-propan-2-yloxybenzonitrile

C14H19N3O — CID 69143799

IUPAC2-piperazin-1-yl-6-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cccc(N2CCNCC2)c1C#N
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-13(12(14)10-15)17-8-6-16-7-9-17/h3-5,11,16H,6-9H2,1-2H3
InChIKeyXHROQWKVCMPFMT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds3

About 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile

2-piperazin-1-yl-6-propan-2-yloxybenzonitrile (PubChem CID 69143799) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name2-piperazin-1-yl-6-propan-2-yloxybenzonitrile
PubChem CID69143799
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-piperazin-1-yl-6-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cccc(N2CCNCC2)c1C#N
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-13(12(14)10-15)17-8-6-16-7-9-17/h3-5,11,16H,6-9H2,1-2H3
InChIKeyXHROQWKVCMPFMT-UHFFFAOYSA-N
XLogP1.76
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile?
The IUPAC name of 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile (CID 69143799) is 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile.
What is the SMILES notation for 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile?
The canonical SMILES for 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile is CC(C)Oc1cccc(N2CCNCC2)c1C#N.
What is the InChIKey of 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile?
The InChIKey is XHROQWKVCMPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-13(12(14)10-15)17-8-6-16-7-9-17/h3-5,11,16H,6-9H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile?
2-piperazin-1-yl-6-propan-2-yloxybenzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-propan-2-yloxybenzonitrile is sourced from PubChem (CID 69143799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).