2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol

C14H22N2OS — CID 2057597

IUPAC2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCSc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-18-14-4-2-13(3-5-14)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3
InChIKeyFWSYUYNLKFVYQY-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 2057597) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID2057597
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol
SMILESCSc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-18-14-4-2-13(3-5-14)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3
InChIKeyFWSYUYNLKFVYQY-UHFFFAOYSA-N
XLogP1.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol (CID 2057597) is 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol is CSc1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is FWSYUYNLKFVYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-14-4-2-13(3-5-14)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3.
What are the key properties of 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 266.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2057597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).