1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone

C14H19FN2O2 — CID 82625034

IUPAC1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CN(C(C)=O)CCC2N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(18)17-6-5-13(16)11(8-17)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyIOXYMUKZFLYFPT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.50
Rot. Bonds2

About 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone

1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 82625034) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
PubChem CID82625034
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CN(C(C)=O)CCC2N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(18)17-6-5-13(16)11(8-17)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyIOXYMUKZFLYFPT-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 170905133
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
1-[(3R,4R)-4-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97024559
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 120746928

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone (CID 82625034) is 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone is COc1ccc(C2CN(C(C)=O)CCC2N)cc1F.
What is the InChIKey of 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is IOXYMUKZFLYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(18)17-6-5-13(16)11(8-17)10-3-4-14(19-2)12(15)7-10/h3-4,7,11,13H,5-6,8,16H2,1-2H3.
What are the key properties of 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone?
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 266.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 82625034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).