3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one

C11H20ClNO2 — CID 129497255

IUPAC3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOC[C@@H]1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C11H20ClNO2/c1-2-15-9-10-4-3-7-13(8-10)11(14)5-6-12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyMFSXFYKTZJBQDK-SNVBAGLBSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds5

About 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one

3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 129497255) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID129497255
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOC[C@@H]1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C11H20ClNO2/c1-2-15-9-10-4-3-7-13(8-10)11(14)5-6-12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyMFSXFYKTZJBQDK-SNVBAGLBSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
1-[3-(2-chloroethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63396138
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110416540
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one (CID 129497255) is 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one is CCOC[C@@H]1CCCN(C(=O)CCCl)C1.
What is the InChIKey of 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is MFSXFYKTZJBQDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-15-9-10-4-3-7-13(8-10)11(14)5-6-12/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one?
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 233.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129497255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).