(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride

C13H19ClN2O3 — CID 119401629

IUPAC(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-17-10-3-4-12(18-2)11(9-10)13(16)15-7-5-14-6-8-15;/h3-4,9,14H,5-8H2,1-2H3;1H
InChIKeyARAGGRGGBUNAMT-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.17
Rot. Bonds3

About (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride

(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401629) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401629
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-17-10-3-4-12(18-2)11(9-10)13(16)15-7-5-14-6-8-15;/h3-4,9,14H,5-8H2,1-2H3;1H
InChIKeyARAGGRGGBUNAMT-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
(2,5-dimethoxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521177
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
1,4-diazepan-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 119414786
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119401629) is (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride is COc1ccc(OC)c(C(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is ARAGGRGGBUNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-17-10-3-4-12(18-2)11(9-10)13(16)15-7-5-14-6-8-15;/h3-4,9,14H,5-8H2,1-2H3;1H.
What are the key properties of (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).