1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine

C14H22N2S — CID 79315398

IUPAC1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
SMILESCC1CN(CCSc2ccccc2)CCN1C
InChIInChI=1S/C14H22N2S/c1-13-12-16(9-8-15(13)2)10-11-17-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyAYKJPJWPGZGBLN-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.41
Rot. Bonds4

About 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine

1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine (PubChem CID 79315398) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
PubChem CID79315398
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
SMILESCC1CN(CCSc2ccccc2)CCN1C
InChIInChI=1S/C14H22N2S/c1-13-12-16(9-8-15(13)2)10-11-17-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyAYKJPJWPGZGBLN-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
3-methyl-1-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223382
(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
CID 7380570
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine (CID 79315398) is 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine is CC1CN(CCSc2ccccc2)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine?
The InChIKey is AYKJPJWPGZGBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-13-12-16(9-8-15(13)2)10-11-17-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine?
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 79315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).