1-(2-ethylsulfanylethyl)-3-phenylpiperazine

C14H22N2S — CID 113474467

IUPAC1-(2-ethylsulfanylethyl)-3-phenylpiperazine
SMILESCCSCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-2-17-11-10-16-9-8-15-14(12-16)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyDOFDFFBTAXRJQA-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-3-phenylpiperazine

1-(2-ethylsulfanylethyl)-3-phenylpiperazine (PubChem CID 113474467) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3-phenylpiperazine
PubChem CID113474467
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(2-ethylsulfanylethyl)-3-phenylpiperazine
SMILESCCSCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-2-17-11-10-16-9-8-15-14(12-16)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyDOFDFFBTAXRJQA-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1-(3-propoxypropyl)piperazine
CID 82947433
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
CID 103016180
1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
CID 103414050
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64831892
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-chloro-3-phenylpiperazine
CID 18428014
3-phenyl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733330
1-(2-methylsulfonylethyl)-3-phenyl-1,4-diazepane
CID 64857272
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3-phenylpiperazine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3-phenylpiperazine (CID 113474467) is 1-(2-ethylsulfanylethyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3-phenylpiperazine is CCSCCN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3-phenylpiperazine?
The InChIKey is DOFDFFBTAXRJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-17-11-10-16-9-8-15-14(12-16)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3-phenylpiperazine?
1-(2-ethylsulfanylethyl)-3-phenylpiperazine has a molecular weight of 250.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3-phenylpiperazine is sourced from PubChem (CID 113474467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).