2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride

C15H20Cl2N2OS — CID 171287287

IUPAC2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H18N2OS.2ClH/c18-13-5-2-1-4-12(13)15(14-6-3-11-19-14)17-9-7-16-8-10-17;;/h1-6,11,15-16,18H,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyWEPZLMCEDLLGKM-CKUXDGONSA-N
MW347.31 g/mol
LogP3.29
Rot. Bonds3

About 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride

2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride (PubChem CID 171287287) has the molecular formula C15H20Cl2N2OS and a molecular weight of 347.31 g/mol. Its IUPAC name is 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
PubChem CID171287287
Molecular FormulaC15H20Cl2N2OS
Molecular Weight347.31 g/mol
Exact Mass346.07
IUPAC Name2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H18N2OS.2ClH/c18-13-5-2-1-4-12(13)15(14-6-3-11-19-14)17-9-7-16-8-10-17;;/h1-6,11,15-16,18H,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyWEPZLMCEDLLGKM-CKUXDGONSA-N
XLogP3.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,2,3-triol
CID 171286810
5-(diethylamino)-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171272314
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
2-hydroxy-3-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile;dihydrochloride
CID 171299617
1-[(R)-thiophen-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280475
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
1-[(S)-1,3-benzodioxol-4-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171294844
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
3-fluoro-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171175142
2-amino-3-fluoro-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171300977

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The IUPAC name of 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride (CID 171287287) is 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride.
What is the SMILES notation for 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The canonical SMILES for 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride is Cl.Cl.Oc1ccccc1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
The InChIKey is WEPZLMCEDLLGKM-CKUXDGONSA-N. The full InChI is InChI=1S/C15H18N2OS.2ClH/c18-13-5-2-1-4-12(13)15(14-6-3-11-19-14)17-9-7-16-8-10-17;;/h1-6,11,15-16,18H,7-10H2;2*1H/t15-;;/m0../s1.
What are the key properties of 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride?
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride has a molecular weight of 347.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride is sourced from PubChem (CID 171287287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).