2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol

C14H25N3OS — CID 82201748

IUPAC2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
SMILESCCN(CCO)C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-2-17(9-10-18)13(14-4-3-11-19-14)12-16-7-5-15-6-8-16/h3-4,11,13,15,18H,2,5-10,12H2,1H3
InChIKeyJVEGYGWXDHMYOZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.01
Rot. Bonds7

About 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol

2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol (PubChem CID 82201748) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
PubChem CID82201748
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
SMILESCCN(CCO)C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-2-17(9-10-18)13(14-4-3-11-19-14)12-16-7-5-15-6-8-16/h3-4,11,13,15,18H,2,5-10,12H2,1H3
InChIKeyJVEGYGWXDHMYOZ-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
CID 82201682
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82201737
2-[methyl-(2-piperazin-1-yl-1-pyridin-3-ylethyl)amino]ethanol
CID 82201784
N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115189078
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol?
The IUPAC name of 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol (CID 82201748) is 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol is CCN(CCO)C(CN1CCNCC1)c1cccs1.
What is the InChIKey of 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol?
The InChIKey is JVEGYGWXDHMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-2-17(9-10-18)13(14-4-3-11-19-14)12-16-7-5-15-6-8-16/h3-4,11,13,15,18H,2,5-10,12H2,1H3.
What are the key properties of 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol?
2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol has a molecular weight of 283.44 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol is sourced from PubChem (CID 82201748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).