1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C17H24Cl2N2OS — CID 171287098

IUPAC1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/c1-2-20-15-7-5-14(6-8-15)17(16-4-3-13-21-16)19-11-9-18-10-12-19;;/h3-8,13,17-18H,2,9-12H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyXEXKAORKEFMCRJ-RMRYJAPISA-N
MW375.37 g/mol
LogP3.98
Rot. Bonds5

About 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171287098) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171287098
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC Name1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/c1-2-20-15-7-5-14(6-8-15)17(16-4-3-13-21-16)19-11-9-18-10-12-19;;/h3-8,13,17-18H,2,9-12H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyXEXKAORKEFMCRJ-RMRYJAPISA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287197
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(5-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]-1,4-diazepane
CID 3767577
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171272709

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171287098) is 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is CCOc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is XEXKAORKEFMCRJ-RMRYJAPISA-N. The full InChI is InChI=1S/C17H22N2OS.2ClH/c1-2-20-15-7-5-14(6-8-15)17(16-4-3-13-21-16)19-11-9-18-10-12-19;;/h3-8,13,17-18H,2,9-12H2,1H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 375.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).