2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

C16H23ClN2O — CID 80552385

IUPAC2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-2-18-12-13-6-8-19(9-7-13)16(20)11-14-4-3-5-15(17)10-14/h3-5,10,13,18H,2,6-9,11-12H2,1H3
InChIKeyQAELELBRLJAIPU-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.73
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 80552385) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID80552385
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-2-18-12-13-6-8-19(9-7-13)16(20)11-14-4-3-5-15(17)10-14/h3-5,10,13,18H,2,6-9,11-12H2,1H3
InChIKeyQAELELBRLJAIPU-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
N-[[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922209
3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119645185
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (CID 80552385) is 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is CCNCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is QAELELBRLJAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-18-12-13-6-8-19(9-7-13)16(20)11-14-4-3-5-15(17)10-14/h3-5,10,13,18H,2,6-9,11-12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 294.83 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 80552385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).