2-piperazin-1-yl-2-thiophen-2-ylethanamine

C10H17N3S — CID 82078137

IUPAC2-piperazin-1-yl-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCNCC1
InChIInChI=1S/C10H17N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8,11H2
InChIKeyDTMVYWDLQDWDBZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP0.65
Rot. Bonds3

About 2-piperazin-1-yl-2-thiophen-2-ylethanamine

2-piperazin-1-yl-2-thiophen-2-ylethanamine (PubChem CID 82078137) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-piperazin-1-yl-2-thiophen-2-ylethanamine
PubChem CID82078137
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-piperazin-1-yl-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCNCC1
InChIInChI=1S/C10H17N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8,11H2
InChIKeyDTMVYWDLQDWDBZ-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-piperazin-1-yl-2-thiophen-2-ylethanamine (CID 82078137) is 2-piperazin-1-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-piperazin-1-yl-2-thiophen-2-ylethanamine is NCC(c1cccs1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The InChIKey is DTMVYWDLQDWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8,11H2.
What are the key properties of 2-piperazin-1-yl-2-thiophen-2-ylethanamine?
2-piperazin-1-yl-2-thiophen-2-ylethanamine has a molecular weight of 211.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 82078137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).