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

C17H24Cl2N2OS — CID 171282622

IUPAC1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/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;2*1H/t17-;;/m1../s1
InChIKeyCQZNGHYCCOZZIW-ZEECNFPPSA-N
MW375.37 g/mol
LogP3.90
Rot. Bonds4

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

1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171282622) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171282622
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC Name1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/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;2*1H/t17-;;/m1../s1
InChIKeyCQZNGHYCCOZZIW-ZEECNFPPSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
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-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284248
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171282622) is 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is COc1ccc([C@H](c2cccs2)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is CQZNGHYCCOZZIW-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H22N2OS.2ClH/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;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 375.37 g/mol, XLogP of 3.90, 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;dihydrochloride is sourced from PubChem (CID 171282622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).