1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone

C14H17ClFNO — CID 116685194

IUPAC1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCC1CCCC(CC(=O)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C14H17ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,17H,2-4,8H2,1H3
InChIKeyMYAMTXUPVDCZPC-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone

1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone (PubChem CID 116685194) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
PubChem CID116685194
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCC1CCCC(CC(=O)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C14H17ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,17H,2-4,8H2,1H3
InChIKeyMYAMTXUPVDCZPC-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685102
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685376
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685105
1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
CID 126971234
1-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanone
CID 82474239
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone (CID 116685194) is 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone is CC1CCCC(CC(=O)c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The InChIKey is MYAMTXUPVDCZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,17H,2-4,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 116685194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).