4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline

C14H20F2N2O — CID 175496805

IUPAC4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline
SMILESCNc1ccc(COC2CCN(C)CC2(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c1-17-12-5-3-11(4-6-12)9-19-13-7-8-18(2)10-14(13,15)16/h3-6,13,17H,7-10H2,1-2H3
InChIKeyXEAUVFHROYRKGE-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.58
Rot. Bonds4

About 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline

4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline (PubChem CID 175496805) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline
PubChem CID175496805
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline
SMILESCNc1ccc(COC2CCN(C)CC2(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c1-17-12-5-3-11(4-6-12)9-19-13-7-8-18(2)10-14(13,15)16/h3-6,13,17H,7-10H2,1-2H3
InChIKeyXEAUVFHROYRKGE-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline?
The IUPAC name of 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline (CID 175496805) is 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline.
What is the SMILES notation for 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline?
The canonical SMILES for 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline is CNc1ccc(COC2CCN(C)CC2(F)F)cc1.
What is the InChIKey of 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline?
The InChIKey is XEAUVFHROYRKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-17-12-5-3-11(4-6-12)9-19-13-7-8-18(2)10-14(13,15)16/h3-6,13,17H,7-10H2,1-2H3.
What are the key properties of 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline?
4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline has a molecular weight of 270.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoro-1-methylpiperidin-4-yl)oxymethyl]-N-methylaniline is sourced from PubChem (CID 175496805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).