1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine

C16H20N2OS — CID 4315343

IUPAC1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1ccccc1C(c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H20N2OS/c1-19-15-5-3-2-4-14(15)16(13-6-11-20-12-13)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3
InChIKeyQPIBFZKFMZYICE-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine

1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 4315343) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID4315343
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1ccccc1C(c1ccsc1)N1CCNCC1
InChIInChI=1S/C16H20N2OS/c1-19-15-5-3-2-4-14(15)16(13-6-11-20-12-13)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3
InChIKeyQPIBFZKFMZYICE-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine 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-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(R)-thiophen-3-yl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171177575
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171179397
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3815578

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine (CID 4315343) is 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine is COc1ccccc1C(c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is QPIBFZKFMZYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-15-5-3-2-4-14(15)16(13-6-11-20-12-13)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine?
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 288.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 4315343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).