[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate

C12H22F2N2O2 — CID 174927109

IUPAC[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CCN)C(F)(F)C1
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)10(17)18-16-7-5-9(4-6-15)12(13,14)8-16/h9H,4-8,15H2,1-3H3
InChIKeyJGWWVKVYFYTSCM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds3

About [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate

[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174927109) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174927109
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CCN)C(F)(F)C1
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)10(17)18-16-7-5-9(4-6-15)12(13,14)8-16/h9H,4-8,15H2,1-3H3
InChIKeyJGWWVKVYFYTSCM-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate (CID 174927109) is [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(CCN)C(F)(F)C1.
What is the InChIKey of [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is JGWWVKVYFYTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,3)10(17)18-16-7-5-9(4-6-15)12(13,14)8-16/h9H,4-8,15H2,1-3H3.
What are the key properties of [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate?
[4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174927109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).