1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride

C10H16Cl2N2S — CID 120837048

IUPAC1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1sccc1Cl.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-10-9(11)2-5-14-10;/h2,5,8,12H,3-4,6-7H2,1H3;1H
InChIKeyHJIUMBBRKZIFBM-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.62
Rot. Bonds2

About 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride

1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120837048) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID120837048
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1sccc1Cl.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-10-9(11)2-5-14-10;/h2,5,8,12H,3-4,6-7H2,1H3;1H
InChIKeyHJIUMBBRKZIFBM-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride (CID 120837048) is 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1Cc1sccc1Cl.Cl.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is HJIUMBBRKZIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-10-9(11)2-5-14-10;/h2,5,8,12H,3-4,6-7H2,1H3;1H.
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride?
1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 267.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120837048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).