(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one

C8H15FN2O — CID 129493259

IUPAC(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C8H15FN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3/t6-,7+/m0/s1
InChIKeyHCCIHEBRSFNZEC-NKWVEPMBSA-N
MW174.22 g/mol
LogP0.29
Rot. Bonds1

About (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one

(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one (PubChem CID 129493259) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
PubChem CID129493259
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C8H15FN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3/t6-,7+/m0/s1
InChIKeyHCCIHEBRSFNZEC-NKWVEPMBSA-N
XLogP0.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
3-(3-fluoropiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 164657894
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129499730
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one (CID 129493259) is (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC[C@@H](F)C1.
What is the InChIKey of (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one?
The InChIKey is HCCIHEBRSFNZEC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one has a molecular weight of 174.22 g/mol, XLogP of 0.29, 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-[(3R)-3-fluoropiperidin-1-yl]propan-1-one is sourced from PubChem (CID 129493259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).