(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride

C13H18ClFN2O — CID 119374600

IUPAC(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(N)CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(8-12(9)14)13(17)16-6-4-11(15)5-7-16;/h2-3,8,11H,4-7,15H2,1H3;1H
InChIKeyLUYYKFPMASZMIR-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.12
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride (PubChem CID 119374600) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
PubChem CID119374600
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(N)CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(8-12(9)14)13(17)16-6-4-11(15)5-7-16;/h2-3,8,11H,4-7,15H2,1H3;1H
InChIKeyLUYYKFPMASZMIR-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
CID 119376909
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride (CID 119374600) is (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCC(N)CC2)cc1F.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride?
The InChIKey is LUYYKFPMASZMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-2-3-10(8-12(9)14)13(17)16-6-4-11(15)5-7-16;/h2-3,8,11H,4-7,15H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119374600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).