2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol

C15H24N2OS — CID 82264442

IUPAC2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCSc1ccc(C(O)C(C)CN2CCNCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-12(11-17-9-7-16-8-10-17)15(18)13-3-5-14(19-2)6-4-13/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyBYJTVDBRILISCQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.98
Rot. Bonds5

About 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol

2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82264442) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82264442
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCSc1ccc(C(O)C(C)CN2CCNCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-12(11-17-9-7-16-8-10-17)15(18)13-3-5-14(19-2)6-4-13/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyBYJTVDBRILISCQ-UHFFFAOYSA-N
XLogP1.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82264910
1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939916
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263878
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
2-methyl-3-piperazin-1-yl-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-ol
CID 82263571
2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
CID 82263132
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
CID 82487384
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82264442) is 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol is CSc1ccc(C(O)C(C)CN2CCNCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is BYJTVDBRILISCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(11-17-9-7-16-8-10-17)15(18)13-3-5-14(19-2)6-4-13/h3-6,12,15-16,18H,7-11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol?
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 280.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82264442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).