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

C10H16Cl2N2S — CID 120839250

IUPAC(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1ccsc1Cl.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-9-2-5-14-10(9)11;/h2,5,8,12H,3-4,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyORJGPRYHURWOOL-DDWIOCJRSA-N
MW267.22 g/mol
LogP2.62
Rot. Bonds2

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

(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120839250) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID120839250
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1ccsc1Cl.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-9-2-5-14-10(9)11;/h2,5,8,12H,3-4,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyORJGPRYHURWOOL-DDWIOCJRSA-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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Related Compounds

1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837048
1-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837125
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
CID 71639556
2,4-dichloro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163380
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride (CID 120839250) is (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1Cc1ccsc1Cl.Cl.
What is the InChIKey of (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is ORJGPRYHURWOOL-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-8-6-12-3-4-13(8)7-9-2-5-14-10(9)11;/h2,5,8,12H,3-4,6-7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[(2-chlorothiophen-3-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 (2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120839250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).