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

C15H19Cl3N2S — CID 171281575

IUPAC1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C15H17ClN2S.2ClH/c16-13-5-3-12(4-6-13)15(14-2-1-11-19-14)18-9-7-17-8-10-18;;/h1-6,11,15,17H,7-10H2;2*1H
InChIKeyMOFDXANFQOLNRW-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.24
Rot. Bonds3

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

1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171281575) has the molecular formula C15H19Cl3N2S and a molecular weight of 365.76 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171281575
Molecular FormulaC15H19Cl3N2S
Molecular Weight365.76 g/mol
Exact Mass364.03
IUPAC Name1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C15H17ClN2S.2ClH/c16-13-5-3-12(4-6-13)15(14-2-1-11-19-14)18-9-7-17-8-10-18;;/h1-6,11,15,17H,7-10H2;2*1H
InChIKeyMOFDXANFQOLNRW-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5096887
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1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
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1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
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1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
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1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
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
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
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1-[(S)-thiophen-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291625

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171281575) is 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc(C(c2cccs2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is MOFDXANFQOLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S.2ClH/c16-13-5-3-12(4-6-13)15(14-2-1-11-19-14)18-9-7-17-8-10-18;;/h1-6,11,15,17H,7-10H2;2*1H.
What are the key properties of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 365.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).