1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone

C14H19FN2O2 — CID 119468063

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESNCC1CCCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-8-4-3-5-11(17)9-16/h1-2,6-7,11H,3-5,8-10,16H2
InChIKeyQSRDRRYRHISSOI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 119468063) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID119468063
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESNCC1CCCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-8-4-3-5-11(17)9-16/h1-2,6-7,11H,3-5,8-10,16H2
InChIKeyQSRDRRYRHISSOI-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
2-(2-fluorophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636221
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119631870
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124700114
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124702251
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 119436216
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 119468678
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 119631354
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 124702240
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 119468063) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone is NCC1CCCCN1C(=O)COc1ccccc1F.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is QSRDRRYRHISSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-6-1-2-7-13(12)19-10-14(18)17-8-4-3-5-11(17)9-16/h1-2,6-7,11H,3-5,8-10,16H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 266.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 119468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).