1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride

C10H15Cl3N2S — CID 120837125

IUPAC1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1csc(Cl)c1Cl.Cl
InChIInChI=1S/C10H14Cl2N2S.ClH/c1-7-4-13-2-3-14(7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H
InChIKeyOUYFIIZVCVQOEX-UHFFFAOYSA-N
MW301.67 g/mol
LogP3.27
Rot. Bonds2

About 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride

1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120837125) has the molecular formula C10H15Cl3N2S and a molecular weight of 301.67 g/mol. Its IUPAC name is 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID120837125
Molecular FormulaC10H15Cl3N2S
Molecular Weight301.67 g/mol
Exact Mass300.00
IUPAC Name1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1csc(Cl)c1Cl.Cl
InChIInChI=1S/C10H14Cl2N2S.ClH/c1-7-4-13-2-3-14(7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H
InChIKeyOUYFIIZVCVQOEX-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837048
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
1-[(4,5-dichlorothiophen-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834380
2,4-dichloro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163380
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
CID 71639556
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine
CID 120837065
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride (CID 120837125) is 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1Cc1csc(Cl)c1Cl.Cl.
What is the InChIKey of 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is OUYFIIZVCVQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2S.ClH/c1-7-4-13-2-3-14(7)5-8-6-15-10(12)9(8)11;/h6-7,13H,2-5H2,1H3;1H.
What are the key properties of 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 301.67 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120837125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).