2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate

C12H21F2NO2 — CID 157326852

IUPAC2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
SMILESCC(F)(F)CC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C12H21F2NO2/c1-11(2,9-4-6-15-7-5-9)17-10(16)8-12(3,13)14/h9,15H,4-8H2,1-3H3
InChIKeyUOFQYKNVJOIXJT-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.35
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate

2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate (PubChem CID 157326852) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
PubChem CID157326852
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
SMILESCC(F)(F)CC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C12H21F2NO2/c1-11(2,9-4-6-15-7-5-9)17-10(16)8-12(3,13)14/h9,15H,4-8H2,1-3H3
InChIKeyUOFQYKNVJOIXJT-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylpropan-2-yl 3,3,4,4,5,5,6,6,6-nonafluorohexanoate
CID 170252631
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
CID 155075694
2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate (CID 157326852) is 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate is CC(F)(F)CC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate?
The InChIKey is UOFQYKNVJOIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-11(2,9-4-6-15-7-5-9)17-10(16)8-12(3,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate?
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate has a molecular weight of 249.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate is sourced from PubChem (CID 157326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).