1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone

C15H21FN2O — CID 119736878

IUPAC1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-17-11-15(19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10,12,17H,5-9,11H2,1H3
InChIKeyALJOWQFEAVNOGJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 119736878) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID119736878
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-17-11-15(19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10,12,17H,5-9,11H2,1H3
InChIKeyALJOWQFEAVNOGJ-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
CID 71919535
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56816044
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone (CID 119736878) is 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is ALJOWQFEAVNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17-11-15(19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10,12,17H,5-9,11H2,1H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 264.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 119736878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).