1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone

C15H20ClNO — CID 61421832

IUPAC1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-12-6-8-17(9-7-12)11-15(18)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyAOMITUXCJBOCRN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone

1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone (PubChem CID 61421832) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
PubChem CID61421832
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-12-6-8-17(9-7-12)11-15(18)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyAOMITUXCJBOCRN-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63567700
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone (CID 61421832) is 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone is CCC1CCN(CC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone?
The InChIKey is AOMITUXCJBOCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-12-6-8-17(9-7-12)11-15(18)13-4-3-5-14(16)10-13/h3-5,10,12H,2,6-9,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone?
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 61421832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).