[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone

C14H18F2N2O — CID 112701238

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-9-6-11(13(16)7-12(9)15)14(19)18-5-3-2-4-10(18)8-17/h6-7,10H,2-5,8,17H2,1H3
InChIKeyJHOAGWNDFYKUDF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.23
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 112701238) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID112701238
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-9-6-11(13(16)7-12(9)15)14(19)18-5-3-2-4-10(18)8-17/h6-7,10H,2-5,8,17H2,1H3
InChIKeyJHOAGWNDFYKUDF-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688589
[2-(aminomethyl)azepan-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116640075
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone (CID 112701238) is [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C(=O)N2CCCCC2CN)c(F)cc1F.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is JHOAGWNDFYKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-6-11(13(16)7-12(9)15)14(19)18-5-3-2-4-10(18)8-17/h6-7,10H,2-5,8,17H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 112701238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).