2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine

C13H26F2N2 — CID 134505369

IUPAC2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCC(C)N1CCC(C)(CN(C)CC(F)F)CC1
InChIInChI=1S/C13H26F2N2/c1-11(2)17-7-5-13(3,6-8-17)10-16(4)9-12(14)15/h11-12H,5-10H2,1-4H3
InChIKeyOJDUDSXNMNNZMP-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.69
Rot. Bonds5

About 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine

2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 134505369) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID134505369
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCC(C)N1CCC(C)(CN(C)CC(F)F)CC1
InChIInChI=1S/C13H26F2N2/c1-11(2)17-7-5-13(3,6-8-17)10-16(4)9-12(14)15/h11-12H,5-10H2,1-4H3
InChIKeyOJDUDSXNMNNZMP-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine (CID 134505369) is 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine is CC(C)N1CCC(C)(CN(C)CC(F)F)CC1.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is OJDUDSXNMNNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-11(2)17-7-5-13(3,6-8-17)10-16(4)9-12(14)15/h11-12H,5-10H2,1-4H3.
What are the key properties of 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 248.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 134505369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).