2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

C11H18N2OS — CID 95165232

IUPAC2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CNCCN1Cc1ccsc1
InChIInChI=1S/C11H18N2OS/c14-5-1-11-7-12-3-4-13(11)8-10-2-6-15-9-10/h2,6,9,11-12,14H,1,3-5,7-8H2/t11-/m1/s1
InChIKeyPQNDBZXWFWDRIN-LLVKDONJSA-N
MW226.34 g/mol
LogP0.90
Rot. Bonds4

About 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 95165232) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID95165232
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CNCCN1Cc1ccsc1
InChIInChI=1S/C11H18N2OS/c14-5-1-11-7-12-3-4-13(11)8-10-2-6-15-9-10/h2,6,9,11-12,14H,1,3-5,7-8H2/t11-/m1/s1
InChIKeyPQNDBZXWFWDRIN-LLVKDONJSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
CID 64833156
2-[(2S)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634112
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95169826
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
2-[(2S)-1-(thiophen-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634081
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45186034
4-chloro-2-[[3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phenol
CID 45187791

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (CID 95165232) is 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is OCC[C@@H]1CNCCN1Cc1ccsc1.
What is the InChIKey of 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is PQNDBZXWFWDRIN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-5-1-11-7-12-3-4-13(11)8-10-2-6-15-9-10/h2,6,9,11-12,14H,1,3-5,7-8H2/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95165232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).