1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride

C16H25ClN2O2S — CID 120732830

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)CSC.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12(11-21-3)16(19)18-9-8-17-10-14(18)13-6-4-5-7-15(13)20-2;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyNXCWOSJVZYVJKH-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride (PubChem CID 120732830) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
PubChem CID120732830
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)CSC.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12(11-21-3)16(19)18-9-8-17-10-14(18)13-6-4-5-7-15(13)20-2;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyNXCWOSJVZYVJKH-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120733797
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 120733367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride (CID 120732830) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C(C)CSC.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
The InChIKey is NXCWOSJVZYVJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-12(11-21-3)16(19)18-9-8-17-10-14(18)13-6-4-5-7-15(13)20-2;/h4-7,12,14,17H,8-11H2,1-3H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride is sourced from PubChem (CID 120732830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).