5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride

C15H20Cl2N2O2S — CID 171273859

IUPAC5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H18N2O2S.2ClH/c18-12-8-11(9-13(19)10-12)15(14-2-1-7-20-14)17-5-3-16-4-6-17;;/h1-2,7-10,15-16,18-19H,3-6H2;2*1H/t15-;;/m1../s1
InChIKeyHJWNXWNSAFYPCT-QCUBGVIVSA-N
MW363.31 g/mol
LogP3.00
Rot. Bonds3

About 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride

5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride (PubChem CID 171273859) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
PubChem CID171273859
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC Name5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Oc1cc(O)cc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H18N2O2S.2ClH/c18-12-8-11(9-13(19)10-12)15(14-2-1-7-20-14)17-5-3-16-4-6-17;;/h1-2,7-10,15-16,18-19H,3-6H2;2*1H/t15-;;/m1../s1
InChIKeyHJWNXWNSAFYPCT-QCUBGVIVSA-N
XLogP3.00
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
2,6-ditert-butyl-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284901
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276826
1-[(S)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289451
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride?
The IUPAC name of 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride (CID 171273859) is 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride.
What is the SMILES notation for 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride?
The canonical SMILES for 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride is Cl.Cl.Oc1cc(O)cc([C@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride?
The InChIKey is HJWNXWNSAFYPCT-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H18N2O2S.2ClH/c18-12-8-11(9-13(19)10-12)15(14-2-1-7-20-14)17-5-3-16-4-6-17;;/h1-2,7-10,15-16,18-19H,3-6H2;2*1H/t15-;;/m1../s1.
What are the key properties of 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride?
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride has a molecular weight of 363.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride is sourced from PubChem (CID 171273859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).