2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline

C16H24F2N2O — CID 174894016

IUPAC2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline
SMILESCC(C)CN1CCC(c2ccc(N)c(OC(F)F)c2)CC1
InChIInChI=1S/C16H24F2N2O/c1-11(2)10-20-7-5-12(6-8-20)13-3-4-14(19)15(9-13)21-16(17)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3
InChIKeyDFHJOBLBVWGZGG-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.71
Rot. Bonds5

About 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline

2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline (PubChem CID 174894016) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline
PubChem CID174894016
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline
SMILESCC(C)CN1CCC(c2ccc(N)c(OC(F)F)c2)CC1
InChIInChI=1S/C16H24F2N2O/c1-11(2)10-20-7-5-12(6-8-20)13-3-4-14(19)15(9-13)21-16(17)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3
InChIKeyDFHJOBLBVWGZGG-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline?
The IUPAC name of 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline (CID 174894016) is 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline is CC(C)CN1CCC(c2ccc(N)c(OC(F)F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline?
The InChIKey is DFHJOBLBVWGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11(2)10-20-7-5-12(6-8-20)13-3-4-14(19)15(9-13)21-16(17)18/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline?
2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline has a molecular weight of 298.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[1-(2-methylpropyl)piperidin-4-yl]aniline is sourced from PubChem (CID 174894016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).