1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C17H24Cl2N2OS — CID 171295210

IUPAC1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1C.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/c1-13-12-14(5-6-15(13)20-2)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-;;/m0../s1
InChIKeyAMTYHHKWZWEGPU-RMRYJAPISA-N
MW375.37 g/mol
LogP3.90
Rot. Bonds4

About 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171295210) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171295210
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC Name1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1C.Cl.Cl
InChIInChI=1S/C17H22N2OS.2ClH/c1-13-12-14(5-6-15(13)20-2)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-;;/m0../s1
InChIKeyAMTYHHKWZWEGPU-RMRYJAPISA-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-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700
1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284248
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3501372
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3702871
1-[(S)-(4-methyl-3-nitrophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291404

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171295210) is 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is COc1ccc([C@@H](c2cccs2)N2CCNCC2)cc1C.Cl.Cl.
What is the InChIKey of 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is AMTYHHKWZWEGPU-RMRYJAPISA-N. The full InChI is InChI=1S/C17H22N2OS.2ClH/c1-13-12-14(5-6-15(13)20-2)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-;;/m0../s1.
What are the key properties of 1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(S)-(4-methoxy-3-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-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).