2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride

C16H23ClN4O — CID 120767521

IUPAC2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1nccn1C.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-19-9-8-18-16(19)12-20-10-7-17-11-14(20)13-5-3-4-6-15(13)21-2;/h3-6,8-9,14,17H,7,10-12H2,1-2H3;1H
InChIKeyGXTAUXFKDKYVKD-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride

2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride (PubChem CID 120767521) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
PubChem CID120767521
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1nccn1C.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-19-9-8-18-16(19)12-20-10-7-17-11-14(20)13-5-3-4-6-15(13)21-2;/h3-6,8-9,14,17H,7,10-12H2,1-2H3;1H
InChIKeyGXTAUXFKDKYVKD-UHFFFAOYSA-N
XLogP2.00
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753443
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120967209
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120846372

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride (CID 120767521) is 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1nccn1C.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is GXTAUXFKDKYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-19-9-8-18-16(19)12-20-10-7-17-11-14(20)13-5-3-4-6-15(13)21-2;/h3-6,8-9,14,17H,7,10-12H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride?
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120767521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).