[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C13H17FN2O — CID 102978340

IUPAC[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-10(14)7-12(9)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3/t11-/m1/s1
InChIKeyUODPOFJLHMIDFO-LLVKDONJSA-N
MW236.29 g/mol
LogP1.70
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 102978340) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID102978340
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-10(14)7-12(9)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3/t11-/m1/s1
InChIKeyUODPOFJLHMIDFO-LLVKDONJSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119379154
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107027847
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 102978340) is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is UODPOFJLHMIDFO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-4-5-10(14)7-12(9)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 102978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).