(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine

C10H20F2N2O — CID 166561191

IUPAC(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC[C@@H](OCC(F)F)[C@@H](N)C1
InChIInChI=1S/C10H20F2N2O/c1-7(2)14-4-3-9(8(13)5-14)15-6-10(11)12/h7-10H,3-6,13H2,1-2H3/t8-,9+/m0/s1
InChIKeyNBZFGGLCYMKISW-DTWKUNHWSA-N
MW222.28 g/mol
LogP1.08
Rot. Bonds4

About (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine

(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine (PubChem CID 166561191) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine
PubChem CID166561191
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC[C@@H](OCC(F)F)[C@@H](N)C1
InChIInChI=1S/C10H20F2N2O/c1-7(2)14-4-3-9(8(13)5-14)15-6-10(11)12/h7-10H,3-6,13H2,1-2H3/t8-,9+/m0/s1
InChIKeyNBZFGGLCYMKISW-DTWKUNHWSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-Difluoroethoxy)piperidin-1-yl]ethan-1-amine
CID 155858597
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
1-[2-(Trifluoromethoxy)ethyl]piperidin-3-amine
CID 65805892
1-(3-Fluoro-4-methoxypiperidin-1-yl)propan-2-amine
CID 69000244
(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
CID 102985273
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
CID 122669557
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-(2,2,2-Trifluoroethoxy)piperidin-3-amine
CID 123362223
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383
4-(Difluoromethoxy)-1-methylpiperidin-3-amine
CID 129230034
(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine
CID 129230044
4-(Difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231168

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine (CID 166561191) is (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC[C@@H](OCC(F)F)[C@@H](N)C1.
What is the InChIKey of (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is NBZFGGLCYMKISW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-7(2)14-4-3-9(8(13)5-14)15-6-10(11)12/h7-10H,3-6,13H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine?
(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 222.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 166561191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).