(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one

C8H14F2N2O — CID 129462915

IUPAC(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2O/c1-6(11)7(13)12-4-2-8(9,10)3-5-12/h6H,2-5,11H2,1H3/t6-/m0/s1
InChIKeyJFWYWYRZXXPIIH-LURJTMIESA-N
MW192.21 g/mol
LogP0.59
Rot. Bonds1

About (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one

(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one (PubChem CID 129462915) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one
PubChem CID129462915
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2O/c1-6(11)7(13)12-4-2-8(9,10)3-5-12/h6H,2-5,11H2,1H3/t6-/m0/s1
InChIKeyJFWYWYRZXXPIIH-LURJTMIESA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
2-Amino-1-(piperidin-1-yl)butan-1-one
CID 12742483
2-Amino-1-piperidin-1-yl-pentan-1-one
CID 43650152
2-Amino-1-(1-piperidinyl)-1-propanone hydrochloride
CID 53444445
(2S)-2-amino-1-(piperidin-1-yl)propan-1-one hydrochloride
CID 50988046
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
1-Methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
CID 45100045
N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598921
1-(3-Amino-1-piperidinyl)ethanone
CID 21482823
(2R)-2-Amino-N-[2-(piperidin-1-yl)ethyl]propanamide
CID 78973179

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one (CID 129462915) is (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one is C[C@H](N)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one?
The InChIKey is JFWYWYRZXXPIIH-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-6(11)7(13)12-4-2-8(9,10)3-5-12/h6H,2-5,11H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one?
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one has a molecular weight of 192.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 129462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).