4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid

C12H19F2NO3 — CID 115049100

IUPAC4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H19F2NO3/c13-10(14)12(11(16)17)3-5-15(6-4-12)9-1-7-18-8-2-9/h9-10H,1-8H2,(H,16,17)
InChIKeyFTFTVAGNIKLQOJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.60
Rot. Bonds3

About 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid

4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid (PubChem CID 115049100) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid
PubChem CID115049100
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H19F2NO3/c13-10(14)12(11(16)17)3-5-15(6-4-12)9-1-7-18-8-2-9/h9-10H,1-8H2,(H,16,17)
InChIKeyFTFTVAGNIKLQOJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid (CID 115049100) is 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid is O=C(O)C1(C(F)F)CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid?
The InChIKey is FTFTVAGNIKLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-10(14)12(11(16)17)3-5-15(6-4-12)9-1-7-18-8-2-9/h9-10H,1-8H2,(H,16,17).
What are the key properties of 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid?
4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(oxan-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115049100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).