2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride

C14H23ClN2OS — CID 6603494

IUPAC2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H22N2OS.ClH/c17-12-10-15-6-8-16(9-7-15)11-13-18-14-4-2-1-3-5-14;/h1-5,17H,6-13H2;1H
InChIKeyXNFNFGLAHYUKTR-UHFFFAOYSA-N
MW302.87 g/mol
LogP1.81
Rot. Bonds6

About 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 6603494) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID6603494
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C14H22N2OS.ClH/c17-12-10-15-6-8-16(9-7-15)11-13-18-14-4-2-1-3-5-14;/h1-5,17H,6-13H2;1H
InChIKeyXNFNFGLAHYUKTR-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol
CID 588768
4-(4-Phenylsulfanylbutyl)morpholine
CID 2993740
Cambridge id 6430356
CID 44657491
4-[2-(2-Phenylsulfanylethoxy)ethyl]morpholine
CID 2993678
4-[2-(4-Fluorophenyl)sulfanylethyl]morpholine
CID 21317487
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
CID 54355213
Propan-2-ol, 1-phenylthio-3-(1-piperidyl)-
CID 566535
2-(4-Fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390954
2-(2-Fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390973

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride (CID 6603494) is 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is XNFNFGLAHYUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c17-12-10-15-6-8-16(9-7-15)11-13-18-14-4-2-1-3-5-14;/h1-5,17H,6-13H2;1H.
What are the key properties of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 6603494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).