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

C9H20Cl2F2N2O — CID 122669557

IUPAC(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
SMILESC[C@@H](N)CN1CCCC(OC(F)F)C1.Cl.Cl
InChIInChI=1S/C9H18F2N2O.2ClH/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11;;/h7-9H,2-6,12H2,1H3;2*1H/t7-,8?;;/m1../s1
InChIKeyYVNUECWKELBWQX-HMOXCYTFSA-N
MW281.17 g/mol
LogP1.88
Rot. Bonds4

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

(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride (PubChem CID 122669557) has the molecular formula C9H20Cl2F2N2O and a molecular weight of 281.17 g/mol. Its IUPAC name is (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
PubChem CID122669557
Molecular FormulaC9H20Cl2F2N2O
Molecular Weight281.17 g/mol
Exact Mass280.09
IUPAC Name(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
SMILESC[C@@H](N)CN1CCCC(OC(F)F)C1.Cl.Cl
InChIInChI=1S/C9H18F2N2O.2ClH/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11;;/h7-9H,2-6,12H2,1H3;2*1H/t7-,8?;;/m1../s1
InChIKeyYVNUECWKELBWQX-HMOXCYTFSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 51.88
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;dihydrochloride?
The IUPAC name of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride (CID 122669557) is (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride.
What is the SMILES notation for (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride?
The canonical SMILES for (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride is C[C@@H](N)CN1CCCC(OC(F)F)C1.Cl.Cl.
What is the InChIKey of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride?
The InChIKey is YVNUECWKELBWQX-HMOXCYTFSA-N. The full InChI is InChI=1S/C9H18F2N2O.2ClH/c1-7(12)5-13-4-2-3-8(6-13)14-9(10)11;;/h7-9H,2-6,12H2,1H3;2*1H/t7-,8?;;/m1../s1.
What are the key properties of (2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride?
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride has a molecular weight of 281.17 g/mol, XLogP of 1.88, 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;dihydrochloride is sourced from PubChem (CID 122669557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).