2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide

C14H20FN3O — CID 114961745

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
SMILESCC1CCN(c2cccc(F)c2C(N)=O)CC1CN
InChIInChI=1S/C14H20FN3O/c1-9-5-6-18(8-10(9)7-16)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyYCMFVAWUBPHNDO-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.35
Rot. Bonds3

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide (PubChem CID 114961745) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
PubChem CID114961745
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
SMILESCC1CCN(c2cccc(F)c2C(N)=O)CC1CN
InChIInChI=1S/C14H20FN3O/c1-9-5-6-18(8-10(9)7-16)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyYCMFVAWUBPHNDO-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
CID 114884842
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
CID 136569056
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 114960255
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-methylsulfanylbenzonitrile
CID 114961605
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 114960452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide (CID 114961745) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide is CC1CCN(c2cccc(F)c2C(N)=O)CC1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide?
The InChIKey is YCMFVAWUBPHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-5-6-18(8-10(9)7-16)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19).
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 114961745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).