2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile

C13H15F2N3O — CID 146251043

IUPAC2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1c(N)cccc1OC1CCNC(C(F)F)C1
InChIInChI=1S/C13H15F2N3O/c14-13(15)11-6-8(4-5-18-11)19-12-3-1-2-10(17)9(12)7-16/h1-3,8,11,13,18H,4-6,17H2
InChIKeyPMRIVEVCVIGEJQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile

2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile (PubChem CID 146251043) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile
PubChem CID146251043
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1c(N)cccc1OC1CCNC(C(F)F)C1
InChIInChI=1S/C13H15F2N3O/c14-13(15)11-6-8(4-5-18-11)19-12-3-1-2-10(17)9(12)7-16/h1-3,8,11,13,18H,4-6,17H2
InChIKeyPMRIVEVCVIGEJQ-UHFFFAOYSA-N
XLogP1.90
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile (CID 146251043) is 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile is N#Cc1c(N)cccc1OC1CCNC(C(F)F)C1.
What is the InChIKey of 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is PMRIVEVCVIGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15)11-6-8(4-5-18-11)19-12-3-1-2-10(17)9(12)7-16/h1-3,8,11,13,18H,4-6,17H2.
What are the key properties of 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile?
2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 267.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(difluoromethyl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 146251043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).