2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one

C15H17Cl2NO2 — CID 56570508

IUPAC2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-12-3-4-13(16)14(17)9-12/h3-4,9,11H,1,5-8H2,2H3
InChIKeyYVYHPUSNIXKJGH-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.94
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one

2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one (PubChem CID 56570508) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
PubChem CID56570508
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-12-3-4-13(16)14(17)9-12/h3-4,9,11H,1,5-8H2,2H3
InChIKeyYVYHPUSNIXKJGH-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570407
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 119635706
2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 63879337
2-(3,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56521781
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 120808423
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 120818509
2-(3,4-dichlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836556
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 56503956
2-(4-chloro-3-methylphenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 111434137

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one (CID 56570508) is 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one is C=C1CCN(C(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The InChIKey is YVYHPUSNIXKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-12-3-4-13(16)14(17)9-12/h3-4,9,11H,1,5-8H2,2H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one has a molecular weight of 314.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 56570508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).