5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine

C18H28N2S — CID 80610250

IUPAC5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine
SMILESCC1CNC(Cc2ccccc2)CN1CC1CCCCS1
InChIInChI=1S/C18H28N2S/c1-15-12-19-17(11-16-7-3-2-4-8-16)13-20(15)14-18-9-5-6-10-21-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyOOGKPPFIDIEIMP-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.18
Rot. Bonds4

About 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine

5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine (PubChem CID 80610250) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine
PubChem CID80610250
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine
SMILESCC1CNC(Cc2ccccc2)CN1CC1CCCCS1
InChIInChI=1S/C18H28N2S/c1-15-12-19-17(11-16-7-3-2-4-8-16)13-20(15)14-18-9-5-6-10-21-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyOOGKPPFIDIEIMP-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80698298
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CID 64937615
5-benzyl-1-cyclopropyl-2-methylpiperazine
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3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055753
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408677
3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane
CID 82936014
5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine?
The IUPAC name of 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine (CID 80610250) is 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine is CC1CNC(Cc2ccccc2)CN1CC1CCCCS1.
What is the InChIKey of 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine?
The InChIKey is OOGKPPFIDIEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-15-12-19-17(11-16-7-3-2-4-8-16)13-20(15)14-18-9-5-6-10-21-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine?
5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine is sourced from PubChem (CID 80610250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).