2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine

C15H30F2N2O2 — CID 156799248

IUPAC2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine
SMILESCCC1CCN(CC=O)CC1(F)F.CNCCOC(C)C
InChIInChI=1S/C9H15F2NO.C6H15NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11;1-6(2)8-5-4-7-3/h6,8H,2-5,7H2,1H3;6-7H,4-5H2,1-3H3
InChIKeyOWVNSNWSDBIXOI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.18
Rot. Bonds7

About 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine

2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine (PubChem CID 156799248) has the molecular formula C15H30F2N2O2 and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine
PubChem CID156799248
Molecular FormulaC15H30F2N2O2
Molecular Weight308.41 g/mol
Exact Mass308.23
IUPAC Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine
SMILESCCC1CCN(CC=O)CC1(F)F.CNCCOC(C)C
InChIInChI=1S/C9H15F2NO.C6H15NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11;1-6(2)8-5-4-7-3/h6,8H,2-5,7H2,1H3;6-7H,4-5H2,1-3H3
InChIKeyOWVNSNWSDBIXOI-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine (CID 156799248) is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine is CCC1CCN(CC=O)CC1(F)F.CNCCOC(C)C.
What is the InChIKey of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is OWVNSNWSDBIXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C6H15NO/c1-2-8-3-4-12(5-6-13)7-9(8,10)11;1-6(2)8-5-4-7-3/h6,8H,2-5,7H2,1H3;6-7H,4-5H2,1-3H3.
What are the key properties of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine?
2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 308.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)acetaldehyde;N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 156799248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).