(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid

C7H11F2NO3 — CID 134262511

IUPAC(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](OC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-6(9)13-5-2-1-3-10(4-5)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m0/s1
InChIKeyZCMDXDJLODUPGN-YFKPBYRVSA-N
MW195.16 g/mol
LogP1.37
Rot. Bonds2

About (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid

(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid (PubChem CID 134262511) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid
PubChem CID134262511
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](OC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-6(9)13-5-2-1-3-10(4-5)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m0/s1
InChIKeyZCMDXDJLODUPGN-YFKPBYRVSA-N
XLogP1.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid (CID 134262511) is (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC[C@H](OC(F)F)C1.
What is the InChIKey of (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid?
The InChIKey is ZCMDXDJLODUPGN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-6(9)13-5-2-1-3-10(4-5)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid?
(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 134262511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).