3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

C16H20N2O2S — CID 171284135

IUPAC3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCOc1cccc(O)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C16H20N2O2S/c1-20-13-5-2-4-12(19)15(13)16(14-6-3-11-21-14)18-9-7-17-8-10-18/h2-6,11,16-17,19H,7-10H2,1H3/t16-/m0/s1
InChIKeyOFYPCJMWIRRTTQ-INIZCTEOSA-N
MW304.41 g/mol
LogP2.46
Rot. Bonds4

About 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol

3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (PubChem CID 171284135) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
PubChem CID171284135
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
SMILESCOc1cccc(O)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C16H20N2O2S/c1-20-13-5-2-4-12(19)15(13)16(14-6-3-11-21-14)18-9-7-17-8-10-18/h2-6,11,16-17,19H,7-10H2,1H3/t16-/m0/s1
InChIKeyOFYPCJMWIRRTTQ-INIZCTEOSA-N
XLogP2.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
3-hydroxy-4-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171299136
1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171181458
3-methoxy-2-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171284121
4-bromo-2-methoxy-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171282069
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171284147
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol;dihydrochloride
CID 171284148
3-methoxy-2-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305702
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol (CID 171284135) is 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is COc1cccc(O)c1[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is OFYPCJMWIRRTTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-20-13-5-2-4-12(19)15(13)16(14-6-3-11-21-14)18-9-7-17-8-10-18/h2-6,11,16-17,19H,7-10H2,1H3/t16-/m0/s1.
What are the key properties of 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol?
3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 304.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 171284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).