1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride

C10H16Cl2N2S — CID 120840158

IUPAC1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CCN1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-5-13(3-2-12-8)6-10-4-9(11)7-14-10;/h4,7-8,12H,2-3,5-6H2,1H3;1H
InChIKeyCZGFUSYEUPRBJC-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.62
Rot. Bonds2

About 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride

1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride (PubChem CID 120840158) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
PubChem CID120840158
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CCN1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-5-13(3-2-12-8)6-10-4-9(11)7-14-10;/h4,7-8,12H,2-3,5-6H2,1H3;1H
InChIKeyCZGFUSYEUPRBJC-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-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride (CID 120840158) is 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride is CC1CN(Cc2cc(Cl)cs2)CCN1.Cl.
What is the InChIKey of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride?
The InChIKey is CZGFUSYEUPRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-8-5-13(3-2-12-8)6-10-4-9(11)7-14-10;/h4,7-8,12H,2-3,5-6H2,1H3;1H.
What are the key properties of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride?
1-[(4-chlorothiophen-2-yl)methyl]-3-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-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120840158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).