3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile

C15H19N3O — CID 138109835

IUPAC3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(C3CC3)CC2)c(N)c1
InChIInChI=1S/C15H19N3O/c16-10-11-1-4-15(14(17)9-11)19-13-5-7-18(8-6-13)12-2-3-12/h1,4,9,12-13H,2-3,5-8,17H2
InChIKeyRNLFQLJUGPURAG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile

3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile (PubChem CID 138109835) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile
PubChem CID138109835
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(C3CC3)CC2)c(N)c1
InChIInChI=1S/C15H19N3O/c16-10-11-1-4-15(14(17)9-11)19-13-5-7-18(8-6-13)12-2-3-12/h1,4,9,12-13H,2-3,5-8,17H2
InChIKeyRNLFQLJUGPURAG-UHFFFAOYSA-N
XLogP2.15
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile (CID 138109835) is 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile is N#Cc1ccc(OC2CCN(C3CC3)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile?
The InChIKey is RNLFQLJUGPURAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-11-1-4-15(14(17)9-11)19-13-5-7-18(8-6-13)12-2-3-12/h1,4,9,12-13H,2-3,5-8,17H2.
What are the key properties of 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile?
3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 138109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).