2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one

C14H17Cl2NO2 — CID 55185310

IUPAC2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(19-13-4-2-3-12(16)9-13)14(18)17-7-5-11(15)6-8-17/h2-4,9-11H,5-8H2,1H3
InChIKeyZIXXOTZXCBQTHD-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one

2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one (PubChem CID 55185310) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
PubChem CID55185310
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(19-13-4-2-3-12(16)9-13)14(18)17-7-5-11(15)6-8-17/h2-4,9-11H,5-8H2,1H3
InChIKeyZIXXOTZXCBQTHD-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenoxy)-1-(4-chloropiperidin-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

1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115746672
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one (CID 55185310) is 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCC(Cl)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one?
The InChIKey is ZIXXOTZXCBQTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-10(19-13-4-2-3-12(16)9-13)14(18)17-7-5-11(15)6-8-17/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one has a molecular weight of 302.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 55185310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).