2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone

C16H21ClFNO2 — CID 53150833

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H21ClFNO2/c1-21-10-7-12-5-8-19(9-6-12)16(20)11-13-14(17)3-2-4-15(13)18/h2-4,12H,5-11H2,1H3
InChIKeyIRVIUNWMBBJDLJ-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone (PubChem CID 53150833) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
PubChem CID53150833
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H21ClFNO2/c1-21-10-7-12-5-8-19(9-6-12)16(20)11-13-14(17)3-2-4-15(13)18/h2-4,12H,5-11H2,1H3
InChIKeyIRVIUNWMBBJDLJ-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone (CID 53150833) is 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone is COCCC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IRVIUNWMBBJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-21-10-7-12-5-8-19(9-6-12)16(20)11-13-14(17)3-2-4-15(13)18/h2-4,12H,5-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone has a molecular weight of 313.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53150833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).