3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one

C9H17FN2O — CID 129494864

IUPAC3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC[C@H](CF)C1
InChIInChI=1S/C9H17FN2O/c10-6-8-2-1-5-12(7-8)9(13)3-4-11/h8H,1-7,11H2/t8-/m1/s1
InChIKeyFBNMJROBMCQUTN-MRVPVSSYSA-N
MW188.25 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one

3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 129494864) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID129494864
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC[C@H](CF)C1
InChIInChI=1S/C9H17FN2O/c10-6-8-2-1-5-12(7-8)9(13)3-4-11/h8H,1-7,11H2/t8-/m1/s1
InChIKeyFBNMJROBMCQUTN-MRVPVSSYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
3-amino-1-[4-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 121200922
1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 121200961
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
CID 103840808

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one (CID 129494864) is 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one is NCCC(=O)N1CCC[C@H](CF)C1.
What is the InChIKey of 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is FBNMJROBMCQUTN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-6-8-2-1-5-12(7-8)9(13)3-4-11/h8H,1-7,11H2/t8-/m1/s1.
What are the key properties of 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129494864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).