1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C19H28Cl2N2OS — CID 171284248

IUPAC1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@H](c1cccs1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2OS.2ClH/c1-14(2)15-6-7-17(22-3)16(13-15)19(18-5-4-12-23-18)21-10-8-20-9-11-21;;/h4-7,12-14,19-20H,8-11H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyWPHAVUSYNHNZTJ-JQDLGSOUSA-N
MW403.42 g/mol
LogP4.72
Rot. Bonds5

About 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171284248) has the molecular formula C19H28Cl2N2OS and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171284248
Molecular FormulaC19H28Cl2N2OS
Molecular Weight403.42 g/mol
Exact Mass402.13
IUPAC Name1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@H](c1cccs1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H26N2OS.2ClH/c1-14(2)15-6-7-17(22-3)16(13-15)19(18-5-4-12-23-18)21-10-8-20-9-11-21;;/h4-7,12-14,19-20H,8-11H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyWPHAVUSYNHNZTJ-JQDLGSOUSA-N
XLogP4.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
1-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3702871
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3501372
1-[(S)-(4,5-dimethoxy-2-nitrophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295065
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171284248) is 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is COc1ccc(C(C)C)cc1[C@H](c1cccs1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is WPHAVUSYNHNZTJ-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H26N2OS.2ClH/c1-14(2)15-6-7-17(22-3)16(13-15)19(18-5-4-12-23-18)21-10-8-20-9-11-21;;/h4-7,12-14,19-20H,8-11H2,1-3H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 403.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171284248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).