3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine

C18H24N2S — CID 24948191

IUPAC3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine
SMILESCSCCC1CN(Cc2cccc3ccccc23)CCN1
InChIInChI=1S/C18H24N2S/c1-21-12-9-17-14-20(11-10-19-17)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17,19H,9-14H2,1H3
InChIKeyPCBRDXPINQRIIB-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.37
Rot. Bonds5

About 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine

3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine (PubChem CID 24948191) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine
PubChem CID24948191
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine
SMILESCSCCC1CN(Cc2cccc3ccccc23)CCN1
InChIInChI=1S/C18H24N2S/c1-21-12-9-17-14-20(11-10-19-17)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17,19H,9-14H2,1H3
InChIKeyPCBRDXPINQRIIB-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
CID 64832605
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
5-[[(3S)-3-methylpiperazin-1-yl]methyl]isoquinoline
CID 24954893
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
CID 104795217
3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64953364
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine (CID 24948191) is 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine is CSCCC1CN(Cc2cccc3ccccc23)CCN1.
What is the InChIKey of 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is PCBRDXPINQRIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-21-12-9-17-14-20(11-10-19-17)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17,19H,9-14H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine?
3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 24948191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).