1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine

C16H20N2S — CID 92754603

IUPAC1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCc1cccc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H20N2S/c1-13-4-2-5-14(12-13)16(15-6-3-11-19-15)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3/t16-/m1/s1
InChIKeyOHMXHASGEXGEAJ-MRXNPFEDSA-N
MW272.42 g/mol
LogP3.05
Rot. Bonds3

About 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 92754603) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID92754603
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCc1cccc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H20N2S/c1-13-4-2-5-14(12-13)16(15-6-3-11-19-15)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3/t16-/m1/s1
InChIKeyOHMXHASGEXGEAJ-MRXNPFEDSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171287618
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171176360
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine (CID 92754603) is 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine is Cc1cccc([C@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is OHMXHASGEXGEAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2S/c1-13-4-2-5-14(12-13)16(15-6-3-11-19-15)18-9-7-17-8-10-18/h2-6,11-12,16-17H,7-10H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 272.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 92754603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).