2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one

C20H21Cl2NO3 — CID 47018486

IUPAC2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H21Cl2NO3/c1-13(26-19-7-4-16(21)12-18(19)22)20(25)23-10-8-15(9-11-23)14-2-5-17(24)6-3-14/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeyKAXMMSJZKFRMBD-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.87
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one

2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 47018486) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one
PubChem CID47018486
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H21Cl2NO3/c1-13(26-19-7-4-16(21)12-18(19)22)20(25)23-10-8-15(9-11-23)14-2-5-17(24)6-3-14/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeyKAXMMSJZKFRMBD-UHFFFAOYSA-N
XLogP4.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
1-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41443439
2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 42949362
2-(2,4-dichlorophenoxy)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 60559245
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119662031
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321
2-(2,4-dichlorophenoxy)-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 86813082
(2S)-2-(2,4-dichlorophenoxy)-1-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 99808429

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one (CID 47018486) is 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is KAXMMSJZKFRMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-13(26-19-7-4-16(21)12-18(19)22)20(25)23-10-8-15(9-11-23)14-2-5-17(24)6-3-14/h2-7,12-13,15,24H,8-11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one?
2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 394.30 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 47018486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).