(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate

C10H18F2N2O2 — CID 174714214

IUPAC(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)8(15)16-14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChIKeyVUMZWPYOVQMQOF-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.16
Rot. Bonds1

About (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate

(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174714214) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID174714214
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)8(15)16-14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChIKeyVUMZWPYOVQMQOF-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate (CID 174714214) is (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N)C(F)(F)C1.
What is the InChIKey of (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is VUMZWPYOVQMQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-9(2,3)8(15)16-14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3.
What are the key properties of (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate?
(4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 236.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174714214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).