1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine

C11H16Cl2N2S — CID 120840112

IUPAC1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2csc(Cl)c2Cl)CC(C)N1
InChIInChI=1S/C11H16Cl2N2S/c1-7-3-15(4-8(2)14-7)5-9-6-16-11(13)10(9)12/h6-8,14H,3-5H2,1-2H3
InChIKeyJRCSXHHGKXXIDR-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.24
Rot. Bonds2

About 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine

1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine (PubChem CID 120840112) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine
PubChem CID120840112
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC Name1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2csc(Cl)c2Cl)CC(C)N1
InChIInChI=1S/C11H16Cl2N2S/c1-7-3-15(4-8(2)14-7)5-9-6-16-11(13)10(9)12/h6-8,14H,3-5H2,1-2H3
InChIKeyJRCSXHHGKXXIDR-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837125
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]phenol
CID 63862971
1-[(4,5-dichlorothiophen-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834380
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 104973764
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
CID 63863135
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine (CID 120840112) is 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine is CC1CN(Cc2csc(Cl)c2Cl)CC(C)N1.
What is the InChIKey of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine?
The InChIKey is JRCSXHHGKXXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c1-7-3-15(4-8(2)14-7)5-9-6-16-11(13)10(9)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine?
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,5-dimethylpiperazine has a molecular weight of 279.24 g/mol, XLogP of 3.24, 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]-3,5-dimethylpiperazine is sourced from PubChem (CID 120840112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).