1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H19Cl2IN2S — CID 171280709

IUPAC1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Ic1cccc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H17IN2S.2ClH/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18;;/h1-5,10-11,15,17H,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyRLPNBZGRKXMMCR-QCUBGVIVSA-N
MW457.21 g/mol
LogP4.19
Rot. Bonds3

About 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171280709) has the molecular formula C15H19Cl2IN2S and a molecular weight of 457.21 g/mol. Its IUPAC name is 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171280709
Molecular FormulaC15H19Cl2IN2S
Molecular Weight457.21 g/mol
Exact Mass455.97
IUPAC Name1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Ic1cccc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H17IN2S.2ClH/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18;;/h1-5,10-11,15,17H,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyRLPNBZGRKXMMCR-QCUBGVIVSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171287618
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(S)-(2-fluoro-5-iodophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171178136
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171176360
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171280709) is 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Cl.Cl.Ic1cccc([C@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is RLPNBZGRKXMMCR-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H17IN2S.2ClH/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18;;/h1-5,10-11,15,17H,6-9H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 457.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).