(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C14H18Cl2N2O2 — CID 52541764

IUPAC(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-9-8-17-4-6-18(7-5-17)14(19)12-3-2-11(15)10-13(12)16/h2-3,10H,4-9H2,1H3
InChIKeyGNQGUKKROUTUEB-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.40
Rot. Bonds4

About (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 52541764) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID52541764
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-9-8-17-4-6-18(7-5-17)14(19)12-3-2-11(15)10-13(12)16/h2-3,10H,4-9H2,1H3
InChIKeyGNQGUKKROUTUEB-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
(2,6-dichloro-3-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 106993356
(2,4-dichlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331489
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
(2,4-dichlorophenyl)-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 78866935
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(4-chloro-2-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 122145539
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 52541764) is (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is GNQGUKKROUTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-20-9-8-17-4-6-18(7-5-17)14(19)12-3-2-11(15)10-13(12)16/h2-3,10H,4-9H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 317.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 52541764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).