2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

C14H17Cl3N2O2 — CID 60642327

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,9,20H,1-3,6-8H2,(H,18,21)
InChIKeyDDWYGJGUWIDVHU-UHFFFAOYSA-N
MW351.66 g/mol
LogP3.29
Rot. Bonds4

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 60642327) has the molecular formula C14H17Cl3N2O2 and a molecular weight of 351.66 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID60642327
Molecular FormulaC14H17Cl3N2O2
Molecular Weight351.66 g/mol
Exact Mass350.04
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,9,20H,1-3,6-8H2,(H,18,21)
InChIKeyDDWYGJGUWIDVHU-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119915863
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 86854756
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 60510321
N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (CID 60642327) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is O=C(CN1CCCC(CO)C1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is DDWYGJGUWIDVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O2/c15-10-4-11(16)14(12(17)5-10)18-13(21)7-19-3-1-2-9(6-19)8-20/h4-5,9,20H,1-3,6-8H2,(H,18,21).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 351.66 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 60642327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).