1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone

C15H20ClNO2 — CID 43228414

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCCCC2C)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-5-3-4-8-17(11)10-14(18)12-6-7-15(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyVAXZVIHOIPJFHZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.41
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43228414) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID43228414
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCCCC2C)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-5-3-4-8-17(11)10-14(18)12-6-7-15(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyVAXZVIHOIPJFHZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-chloro-4-methoxyphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884762
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone (CID 43228414) is 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone is COc1ccc(C(=O)CN2CCCCC2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is VAXZVIHOIPJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-5-3-4-8-17(11)10-14(18)12-6-7-15(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).