[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone

C15H21FN2O2 — CID 102884019

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CCCC2CN)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10-4-3-5-11(9-17)18(10)15(19)13-7-6-12(20-2)8-14(13)16/h6-8,10-11H,3-5,9,17H2,1-2H3
InChIKeyOHCCMSPIFJJUEZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.18
Rot. Bonds3

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102884019) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102884019
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CCCC2CN)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10-4-3-5-11(9-17)18(10)15(19)13-7-6-12(20-2)8-14(13)16/h6-8,10-11H,3-5,9,17H2,1-2H3
InChIKeyOHCCMSPIFJJUEZ-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885409
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862177
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 77015493
[(3S,4S)-3-(aminomethyl)-4-ethylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469644
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone (CID 102884019) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2C(C)CCCC2CN)c(F)c1.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is OHCCMSPIFJJUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-4-3-5-11(9-17)18(10)15(19)13-7-6-12(20-2)8-14(13)16/h6-8,10-11H,3-5,9,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102884019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).