5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C16H20N2OS — CID 171294370

IUPAC5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCc1ccc([C@@H](c2cccs2)N2CCNCC2)c(O)c1
InChIInChI=1S/C16H20N2OS/c1-12-4-5-13(14(19)11-12)16(15-3-2-10-20-15)18-8-6-17-7-9-18/h2-5,10-11,16-17,19H,6-9H2,1H3/t16-/m0/s1
InChIKeyAHROCDNLJSFHFV-INIZCTEOSA-N
MW288.42 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171294370) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171294370
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCc1ccc([C@@H](c2cccs2)N2CCNCC2)c(O)c1
InChIInChI=1S/C16H20N2OS/c1-12-4-5-13(14(19)11-12)16(15-3-2-10-20-15)18-8-6-17-7-9-18/h2-5,10-11,16-17,19H,6-9H2,1H3/t16-/m0/s1
InChIKeyAHROCDNLJSFHFV-INIZCTEOSA-N
XLogP2.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
5-(diethylamino)-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171272314
2-fluoro-3-methyl-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171300376
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171272195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171294370) is 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is Cc1ccc([C@@H](c2cccs2)N2CCNCC2)c(O)c1.
What is the InChIKey of 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is AHROCDNLJSFHFV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-4-5-13(14(19)11-12)16(15-3-2-10-20-15)18-8-6-17-7-9-18/h2-5,10-11,16-17,19H,6-9H2,1H3/t16-/m0/s1.
What are the key properties of 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 288.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171294370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).