1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C14H17Cl2NO2 — CID 62025324

IUPAC1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(CO)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-3-4-12(13(16)6-11)14(19)8-17-5-1-2-10(7-17)9-18/h3-4,6,10,18H,1-2,5,7-9H2
InChIKeyHPQIQHWIQHECGT-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone

1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 62025324) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID62025324
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(CO)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-3-4-12(13(16)6-11)14(19)8-17-5-1-2-10(7-17)9-18/h3-4,6,10,18H,1-2,5,7-9H2
InChIKeyHPQIQHWIQHECGT-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol
CID 111442460
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403173

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 62025324) is 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC(CO)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is HPQIQHWIQHECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-11-3-4-12(13(16)6-11)14(19)8-17-5-1-2-10(7-17)9-18/h3-4,6,10,18H,1-2,5,7-9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 302.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62025324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).