(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine

C11H18N2S — CID 103885885

IUPAC(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN[C@H](C)C2)s1
InChIInChI=1S/C11H18N2S/c1-9-7-13(6-5-12-9)8-11-4-3-10(2)14-11/h3-4,9,12H,5-8H2,1-2H3/t9-/m1/s1
InChIKeyHILRCPUROREPPE-SECBINFHSA-N
MW210.35 g/mol
LogP1.85
Rot. Bonds2

About (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine

(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 103885885) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID103885885
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN[C@H](C)C2)s1
InChIInChI=1S/C11H18N2S/c1-9-7-13(6-5-12-9)8-11-4-3-10(2)14-11/h3-4,9,12H,5-8H2,1-2H3/t9-/m1/s1
InChIKeyHILRCPUROREPPE-SECBINFHSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
CID 65416150
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120845864
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine (CID 103885885) is (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine is Cc1ccc(CN2CCN[C@H](C)C2)s1.
What is the InChIKey of (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is HILRCPUROREPPE-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-7-13(6-5-12-9)8-11-4-3-10(2)14-11/h3-4,9,12H,5-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine?
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 210.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 103885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).