(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one

C9H17FN2O — CID 129495721

IUPAC(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC[C@@H](CF)C1
InChIInChI=1S/C9H17FN2O/c1-7(11)9(13)12-4-2-3-8(5-10)6-12/h7-8H,2-6,11H2,1H3/t7-,8+/m1/s1
InChIKeyHVNOJZSGEPHWNR-SFYZADRCSA-N
MW188.25 g/mol
LogP0.54
Rot. Bonds2

About (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 129495721) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID129495721
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC[C@@H](CF)C1
InChIInChI=1S/C9H17FN2O/c1-7(11)9(13)12-4-2-3-8(5-10)6-12/h7-8H,2-6,11H2,1H3/t7-,8+/m1/s1
InChIKeyHVNOJZSGEPHWNR-SFYZADRCSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
2-[1-(2-aminopropanoyl)piperidin-3-yl]acetamide;hydrochloride
CID 119339824
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
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
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one (CID 129495721) is (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC[C@@H](CF)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is HVNOJZSGEPHWNR-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(11)9(13)12-4-2-3-8(5-10)6-12/h7-8H,2-6,11H2,1H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129495721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).