1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone

C14H19ClNO+ — CID 2404153

IUPAC1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
SMILESCC1CC[NH+](CC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/p+1
InChIKeyIBJAMRWYBLZKQF-UHFFFAOYSA-O
MW252.76 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone

1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone (PubChem CID 2404153) has the molecular formula C14H19ClNO+ and a molecular weight of 252.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
PubChem CID2404153
Molecular FormulaC14H19ClNO+
Molecular Weight252.76 g/mol
Exact Mass252.11
IUPAC Name1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
SMILESCC1CC[NH+](CC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/p+1
InChIKeyIBJAMRWYBLZKQF-UHFFFAOYSA-O
XLogP1.84
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 2392944
1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone
CID 2407098
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8704491
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 4519184
1-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone
CID 2473535
3-[2-(2-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53436283
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543888
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone (CID 2404153) is 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone is CC1CC[NH+](CC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
The InChIKey is IBJAMRWYBLZKQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18ClNO/c1-11-6-8-16(9-7-11)10-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/p+1.
What are the key properties of 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone?
1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone has a molecular weight of 252.76 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone is sourced from PubChem (CID 2404153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).