(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

C12H15Cl3N2O2 — CID 45044872

IUPAC(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)CC1.Cl
InChIInChI=1S/C12H14Cl2N2O2.ClH/c1-15-2-4-16(5-3-15)12(18)9-6-8(13)7-10(14)11(9)17;/h6-7,17H,2-5H2,1H3;1H
InChIKeyRWHCYNLXXRKMAO-UHFFFAOYSA-N
MW325.62 g/mol
LogP2.51
Rot. Bonds1

About (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 45044872) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID45044872
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)CC1.Cl
InChIInChI=1S/C12H14Cl2N2O2.ClH/c1-15-2-4-16(5-3-15)12(18)9-6-8(13)7-10(14)11(9)17;/h6-7,17H,2-5H2,1H3;1H
InChIKeyRWHCYNLXXRKMAO-UHFFFAOYSA-N
XLogP2.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 178146515
(5-chloro-2-methylsulfanylphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 51059922
(2-chloro-3,4-dihydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 19880175
methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803307
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
1-[4-(3,5-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800255
1-[5-chloro-2-[2-(4-methylpiperazine-1-carbonyl)phenyl]sulfanylphenyl]ethanone;hydrochloride
CID 3022126
(2,3-dichloro-5-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 107187023
(3,5-dichloro-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391607
2,4-dichloro-N-[4-iodo-2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 1304777
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660
(2-chloro-4-pyrrolidin-1-ylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 91800553

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 45044872) is (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)CC1.Cl.
What is the InChIKey of (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is RWHCYNLXXRKMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.ClH/c1-15-2-4-16(5-3-15)12(18)9-6-8(13)7-10(14)11(9)17;/h6-7,17H,2-5H2,1H3;1H.
What are the key properties of (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride?
(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 325.62 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 45044872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).