1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine

C15H17IN2S — CID 171276045

IUPAC1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
SMILESIc1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C15H17IN2S/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
InChIKeyJZXTZUSJZSAZJO-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.35
Rot. Bonds3

About 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171276045) has the molecular formula C15H17IN2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171276045
Molecular FormulaC15H17IN2S
Molecular Weight384.29 g/mol
Exact Mass384.02
IUPAC Name1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
SMILESIc1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C15H17IN2S/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
InChIKeyJZXTZUSJZSAZJO-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.35
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-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
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-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(R)-furan-3-yl(thiophen-2-yl)methyl]piperazine
CID 171281680
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine (CID 171276045) is 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine is Ic1ccc(C(c2cccs2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is JZXTZUSJZSAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2S/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.
What are the key properties of 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine?
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 384.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171276045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).