2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride

C9H18ClFN2O — CID 130635409

IUPAC2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC(C)C(F)C1.Cl
InChIInChI=1S/C9H17FN2O.ClH/c1-6-3-4-12(5-8(6)10)9(13)7(2)11;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyRNFZMXHBZZFBDR-UHFFFAOYSA-N
MW224.71 g/mol
LogP0.96
Rot. Bonds1

About 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride

2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 130635409) has the molecular formula C9H18ClFN2O and a molecular weight of 224.71 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID130635409
Molecular FormulaC9H18ClFN2O
Molecular Weight224.71 g/mol
Exact Mass224.11
IUPAC Name2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC(C)C(F)C1.Cl
InChIInChI=1S/C9H17FN2O.ClH/c1-6-3-4-12(5-8(6)10)9(13)7(2)11;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyRNFZMXHBZZFBDR-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride (CID 130635409) is 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride is CC(N)C(=O)N1CCC(C)C(F)C1.Cl.
What is the InChIKey of 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is RNFZMXHBZZFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O.ClH/c1-6-3-4-12(5-8(6)10)9(13)7(2)11;/h6-8H,3-5,11H2,1-2H3;1H.
What are the key properties of 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 224.71 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 130635409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).