2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C9H16ClNO2 — CID 107216511

IUPAC2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(CCO)C1
InChIInChI=1S/C9H16ClNO2/c10-6-9(13)11-4-1-2-8(7-11)3-5-12/h8,12H,1-7H2
InChIKeyNNMXYVILYSGKGK-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.85
Rot. Bonds3

About 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 107216511) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID107216511
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(CCO)C1
InChIInChI=1S/C9H16ClNO2/c10-6-9(13)11-4-1-2-8(7-11)3-5-12/h8,12H,1-7H2
InChIKeyNNMXYVILYSGKGK-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.85
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

2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357455
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetonitrile
CID 62356592
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 107216511) is 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is O=C(CCl)N1CCCC(CCO)C1.
What is the InChIKey of 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is NNMXYVILYSGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c10-6-9(13)11-4-1-2-8(7-11)3-5-12/h8,12H,1-7H2.
What are the key properties of 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 205.68 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 107216511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).