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

C14H17Cl2NO2 — CID 43403173

IUPAC2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C14H17Cl2NO2/c15-12-4-3-11(13(16)7-12)6-14(19)17-5-1-2-10(8-17)9-18/h3-4,7,10,18H,1-2,5-6,8-9H2
InChIKeyWPSNUEBEAPCRHC-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.77
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 43403173) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID43403173
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C14H17Cl2NO2/c15-12-4-3-11(13(16)7-12)6-14(19)17-5-1-2-10(8-17)9-18/h3-4,7,10,18H,1-2,5-6,8-9H2
InChIKeyWPSNUEBEAPCRHC-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
2-(2,4-dichlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030140
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 132971968
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 43403173) is 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCCC(CO)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is WPSNUEBEAPCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(13(16)7-12)6-14(19)17-5-1-2-10(8-17)9-18/h3-4,7,10,18H,1-2,5-6,8-9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 302.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 43403173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).