1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone

C13H17ClNO+ — CID 2407098

IUPAC1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2/p+1
InChIKeyMZTFUWNAMYBSTO-UHFFFAOYSA-O
MW238.74 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone

1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone (PubChem CID 2407098) has the molecular formula C13H17ClNO+ and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone
PubChem CID2407098
Molecular FormulaC13H17ClNO+
Molecular Weight238.74 g/mol
Exact Mass238.10
IUPAC Name1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2/p+1
InChIKeyMZTFUWNAMYBSTO-UHFFFAOYSA-O
XLogP1.59
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 2404153
1-phenyl-2-pyrrolidin-1-ium-1-ylethanone bromide
CID 140582432
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
CID 6938363
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
[(2S)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-chlorobenzoate
CID 6937715
1-pyrrolidin-1-ium-1-ylpropan-2-yl 2-chlorobenzoate
CID 4139251
2-chloro-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 8545264
1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone
CID 2429528
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
1-(2-chlorophenyl)pent-4-yn-1-one
CID 63656903

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone (CID 2407098) is 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone is O=C(C[NH+]1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone?
The InChIKey is MZTFUWNAMYBSTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16ClNO/c14-12-7-3-2-6-11(12)13(16)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2/p+1.
What are the key properties of 1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone?
1-(2-chlorophenyl)-2-piperidin-1-ium-1-ylethanone has a molecular weight of 238.74 g/mol, XLogP of 1.59, 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-piperidin-1-ium-1-ylethanone is sourced from PubChem (CID 2407098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).