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

C16H24FN3O — CID 103353216

IUPAC3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
SMILESCCC1CCN(Cc2cc(C(N)=O)ccc2F)C(CN)C1
InChIInChI=1S/C16H24FN3O/c1-2-11-5-6-20(14(7-11)9-18)10-13-8-12(16(19)21)3-4-15(13)17/h3-4,8,11,14H,2,5-7,9-10,18H2,1H3,(H2,19,21)
InChIKeyJUPOPSAOAJOLGT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.87
Rot. Bonds5

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

3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide (PubChem CID 103353216) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
PubChem CID103353216
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
SMILESCCC1CCN(Cc2cc(C(N)=O)ccc2F)C(CN)C1
InChIInChI=1S/C16H24FN3O/c1-2-11-5-6-20(14(7-11)9-18)10-13-8-12(16(19)21)3-4-15(13)17/h3-4,8,11,14H,2,5-7,9-10,18H2,1H3,(H2,19,21)
InChIKeyJUPOPSAOAJOLGT-UHFFFAOYSA-N
XLogP1.87
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 66051302
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-3-methylbenzonitrile
CID 103353274
[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351813
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
CID 103351651
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide (CID 103353216) is 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide is CCC1CCN(Cc2cc(C(N)=O)ccc2F)C(CN)C1.
What is the InChIKey of 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide?
The InChIKey is JUPOPSAOAJOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-11-5-6-20(14(7-11)9-18)10-13-8-12(16(19)21)3-4-15(13)17/h3-4,8,11,14H,2,5-7,9-10,18H2,1H3,(H2,19,21).
What are the key properties of 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide?
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide has a molecular weight of 293.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 103353216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).