(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

C14H19FN2O2 — CID 103807097

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)C(C)C2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9-8-17(6-5-13(9)16)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13H,5-6,8,16H2,1-2H3
InChIKeyMZAVSSIJTIXEAL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds2

About (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103807097) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103807097
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)C(C)C2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9-8-17(6-5-13(9)16)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13H,5-6,8,16H2,1-2H3
InChIKeyMZAVSSIJTIXEAL-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
[(3S,4S)-3-(aminomethyl)-4-ethylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469644
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103807097) is (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(N)C(C)C2)c(F)c1.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is MZAVSSIJTIXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-8-17(6-5-13(9)16)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13H,5-6,8,16H2,1-2H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103807097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).