1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone

C14H17F2NO — CID 43219785

IUPAC1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10-4-6-17(7-5-10)9-14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyVTNGHSALRLQUCY-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 43219785) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID43219785
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10-4-6-17(7-5-10)9-14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyVTNGHSALRLQUCY-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
1-(2,5-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960397
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794572
4-[2-(2,5-difluorophenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82123258
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206765
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone (CID 43219785) is 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is VTNGHSALRLQUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10-4-6-17(7-5-10)9-14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43219785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).