2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C8H14ClNO2 — CID 114678152

IUPAC2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CCl)CCC1O
InChIInChI=1S/C8H14ClNO2/c1-6-5-10(8(12)4-9)3-2-7(6)11/h6-7,11H,2-5H2,1H3
InChIKeyLNRMVWPJLLDBEN-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.45
Rot. Bonds1

About 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 114678152) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID114678152
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CCl)CCC1O
InChIInChI=1S/C8H14ClNO2/c1-6-5-10(8(12)4-9)3-2-7(6)11/h6-7,11H,2-5H2,1H3
InChIKeyLNRMVWPJLLDBEN-UHFFFAOYSA-N
XLogP0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 114679928
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 114678152) is 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)CCl)CCC1O.
What is the InChIKey of 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is LNRMVWPJLLDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-6-5-10(8(12)4-9)3-2-7(6)11/h6-7,11H,2-5H2,1H3.
What are the key properties of 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 191.66 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114678152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).