2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide

C14H19ClN2O2 — CID 54989374

IUPAC2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-2-1-3-13(11(12)9-18)17-6-4-10(5-7-17)8-14(16)19/h1-3,10,18H,4-9H2,(H2,16,19)
InChIKeyLOQJIJLAGDZECO-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide

2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 54989374) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID54989374
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-2-1-3-13(11(12)9-18)17-6-4-10(5-7-17)8-14(16)19/h1-3,10,18H,4-9H2,(H2,16,19)
InChIKeyLOQJIJLAGDZECO-UHFFFAOYSA-N
XLogP1.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
2-[1-(3-bromo-2-carbamothioylphenyl)piperidin-4-yl]acetamide
CID 114882193
2-[1-(2-carbamothioyl-3-fluorophenyl)piperidin-4-yl]acetamide
CID 79512494
[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
CID 61221101
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide (CID 54989374) is 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is LOQJIJLAGDZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-2-1-3-13(11(12)9-18)17-6-4-10(5-7-17)8-14(16)19/h1-3,10,18H,4-9H2,(H2,16,19).
What are the key properties of 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide?
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54989374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).