1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone

C16H22ClNO2 — CID 11609050

IUPAC1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone
SMILESCOCCN1CCC(c2cccc(C(C)=O)c2Cl)CC1
InChIInChI=1S/C16H22ClNO2/c1-12(19)14-4-3-5-15(16(14)17)13-6-8-18(9-7-13)10-11-20-2/h3-5,13H,6-11H2,1-2H3
InChIKeyLSFBZVVEDNAKPD-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone

1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone (PubChem CID 11609050) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone
PubChem CID11609050
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone
SMILESCOCCN1CCC(c2cccc(C(C)=O)c2Cl)CC1
InChIInChI=1S/C16H22ClNO2/c1-12(19)14-4-3-5-15(16(14)17)13-6-8-18(9-7-13)10-11-20-2/h3-5,13H,6-11H2,1-2H3
InChIKeyLSFBZVVEDNAKPD-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone (CID 11609050) is 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone is COCCN1CCC(c2cccc(C(C)=O)c2Cl)CC1.
What is the InChIKey of 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone?
The InChIKey is LSFBZVVEDNAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(19)14-4-3-5-15(16(14)17)13-6-8-18(9-7-13)10-11-20-2/h3-5,13H,6-11H2,1-2H3.
What are the key properties of 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone?
1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone is sourced from PubChem (CID 11609050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).