4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide

C14H20FN3O — CID 103442379

IUPAC4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide
SMILESCC1CCN(c2ccc(C(N)=O)cc2F)C(CN)C1
InChIInChI=1S/C14H20FN3O/c1-9-4-5-18(11(6-9)8-16)13-3-2-10(14(17)19)7-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3,(H2,17,19)
InChIKeyNTIYJMZQBMDTKP-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.49
Rot. Bonds3

About 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide

4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide (PubChem CID 103442379) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide
PubChem CID103442379
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide
SMILESCC1CCN(c2ccc(C(N)=O)cc2F)C(CN)C1
InChIInChI=1S/C14H20FN3O/c1-9-4-5-18(11(6-9)8-16)13-3-2-10(14(17)19)7-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3,(H2,17,19)
InChIKeyNTIYJMZQBMDTKP-UHFFFAOYSA-N
XLogP1.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-nitrobenzamide
CID 103442356
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
CID 80551926
[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
CID 103442531
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
CID 103353216
3-fluoro-4-(4-methylpiperidin-1-yl)benzenecarbothioamide
CID 43657662
1-[4-(2-ethylazepan-1-yl)-3-fluorophenyl]ethanone
CID 104690171
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
4-(4-carbamoyl-2-fluorophenyl)thiomorpholine-3-carboxylic acid
CID 82904159

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide (CID 103442379) is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide is CC1CCN(c2ccc(C(N)=O)cc2F)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide?
The InChIKey is NTIYJMZQBMDTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-4-5-18(11(6-9)8-16)13-3-2-10(14(17)19)7-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3,(H2,17,19).
What are the key properties of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide?
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 103442379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).