[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

C15H26F2N2O2 — CID 174893872

IUPAC[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)13(20)21-9-12-8-15(16,17)10-19(12)11-4-6-18-7-5-11/h11-12,18H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHDEOVDKHNTWTJZ-GFCCVEGCSA-N
MW304.38 g/mol
LogP2.04
Rot. Bonds3

About [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 174893872) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID174893872
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)13(20)21-9-12-8-15(16,17)10-19(12)11-4-6-18-7-5-11/h11-12,18H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHDEOVDKHNTWTJZ-GFCCVEGCSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (CID 174893872) is [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is HDEOVDKHNTWTJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-14(2,3)13(20)21-9-12-8-15(16,17)10-19(12)11-4-6-18-7-5-11/h11-12,18H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 304.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174893872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).