(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine

C9H18F2N2O — CID 122669558

IUPAC(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
SMILESC[C@@H](N)CN1CCCC(OC(F)F)C1
InChIInChI=1S/C9H18F2N2O/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11/h7-9H,2-6,12H2,1H3/t7-,8?/m1/s1
InChIKeyZVZYBFYLSHPDSF-GVHYBUMESA-N
MW208.25 g/mol
LogP1.04
Rot. Bonds4

About (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine

(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine (PubChem CID 122669558) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
PubChem CID122669558
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
SMILESC[C@@H](N)CN1CCCC(OC(F)F)C1
InChIInChI=1S/C9H18F2N2O/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11/h7-9H,2-6,12H2,1H3/t7-,8?/m1/s1
InChIKeyZVZYBFYLSHPDSF-GVHYBUMESA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine?
The IUPAC name of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine (CID 122669558) is (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine is C[C@@H](N)CN1CCCC(OC(F)F)C1.
What is the InChIKey of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine?
The InChIKey is ZVZYBFYLSHPDSF-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11/h7-9H,2-6,12H2,1H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine?
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine has a molecular weight of 208.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 122669558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).