1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine

C11H17ClN2S — CID 63861880

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)s2)CC(C)N1
InChIInChI=1S/C11H17ClN2S/c1-8-5-14(6-9(2)13-8)7-10-3-4-11(12)15-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyFSHGKMQXGCNWSZ-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.58
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine (PubChem CID 63861880) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
PubChem CID63861880
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)s2)CC(C)N1
InChIInChI=1S/C11H17ClN2S/c1-8-5-14(6-9(2)13-8)7-10-3-4-11(12)15-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyFSHGKMQXGCNWSZ-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine (CID 63861880) is 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine is CC1CN(Cc2ccc(Cl)s2)CC(C)N1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine?
The InChIKey is FSHGKMQXGCNWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-8-5-14(6-9(2)13-8)7-10-3-4-11(12)15-10/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine has a molecular weight of 244.79 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63861880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).