2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid

C10H18F2N2O2 — CID 134533994

IUPAC2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-13(6-9(15)16)4-8-3-10(11,12)7-14(2)5-8/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyJZRMVFLCASDWNK-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.59
Rot. Bonds4

About 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid

2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid (PubChem CID 134533994) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid
PubChem CID134533994
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-13(6-9(15)16)4-8-3-10(11,12)7-14(2)5-8/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyJZRMVFLCASDWNK-UHFFFAOYSA-N
XLogP0.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid (CID 134533994) is 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C)CC(F)(F)C1.
What is the InChIKey of 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is JZRMVFLCASDWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-13(6-9(15)16)4-8-3-10(11,12)7-14(2)5-8/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid?
2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 236.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-difluoro-1-methylpiperidin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 134533994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).