2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline

C15H22F2N2O — CID 165489475

IUPAC2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline
SMILESCCC1(C)CCN(c2ccc(N)c(OC(F)F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-3-15(2)6-8-19(9-7-15)11-4-5-12(18)13(10-11)20-14(16)17/h4-5,10,14H,3,6-9,18H2,1-2H3
InChIKeyZVQYYEBGCQBZSZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.89
Rot. Bonds4

About 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline

2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline (PubChem CID 165489475) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline
PubChem CID165489475
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline
SMILESCCC1(C)CCN(c2ccc(N)c(OC(F)F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-3-15(2)6-8-19(9-7-15)11-4-5-12(18)13(10-11)20-14(16)17/h4-5,10,14H,3,6-9,18H2,1-2H3
InChIKeyZVQYYEBGCQBZSZ-UHFFFAOYSA-N
XLogP3.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.89
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-(4-ethyl-4-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline (CID 165489475) is 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline is CCC1(C)CCN(c2ccc(N)c(OC(F)F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline?
The InChIKey is ZVQYYEBGCQBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-15(2)6-8-19(9-7-15)11-4-5-12(18)13(10-11)20-14(16)17/h4-5,10,14H,3,6-9,18H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline?
2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline has a molecular weight of 284.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 165489475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).