2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C14H19Cl3N2O2 — CID 119473115

IUPAC2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9-8-17-3-4-18(9)14(19)10(2)20-13-6-11(15)5-12(16)7-13;/h5-7,9-10,17H,3-4,8H2,1-2H3;1H
InChIKeyHLRBSGYXHNEONE-UHFFFAOYSA-N
MW353.68 g/mol
LogP3.00
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119473115) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119473115
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9-8-17-3-4-18(9)14(19)10(2)20-13-6-11(15)5-12(16)7-13;/h5-7,9-10,17H,3-4,8H2,1-2H3;1H
InChIKeyHLRBSGYXHNEONE-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472199
(2S)-2-(2-bromophenoxy)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 124571324
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 95286382
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119473115) is 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is HLRBSGYXHNEONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c1-9-8-17-3-4-18(9)14(19)10(2)20-13-6-11(15)5-12(16)7-13;/h5-7,9-10,17H,3-4,8H2,1-2H3;1H.
What are the key properties of 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).