1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine

C17H22N2OS — CID 171282621

IUPAC1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-13-12-14(20-2)5-6-15(13)17(16-4-3-11-21-16)19-9-7-18-8-10-19/h3-6,11-12,17-18H,7-10H2,1-2H3/t17-/m1/s1
InChIKeyIMRUPTPHCXQJEQ-QGZVFWFLSA-N
MW302.44 g/mol
LogP3.06
Rot. Bonds4

About 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171282621) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171282621
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-13-12-14(20-2)5-6-15(13)17(16-4-3-11-21-16)19-9-7-18-8-10-19/h3-6,11-12,17-18H,7-10H2,1-2H3/t17-/m1/s1
InChIKeyIMRUPTPHCXQJEQ-QGZVFWFLSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
1-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3702871
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
2-fluoro-3-methyl-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171300376
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine (CID 171282621) is 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine is COc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is IMRUPTPHCXQJEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-12-14(20-2)5-6-15(13)17(16-4-3-11-21-16)19-9-7-18-8-10-19/h3-6,11-12,17-18H,7-10H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 302.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171282621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).