piperazin-1-yl(thiophen-2-yl)methanamine

C9H15N3S — CID 116939719

IUPACpiperazin-1-yl(thiophen-2-yl)methanamine
SMILESNC(c1cccs1)N1CCNCC1
InChIInChI=1S/C9H15N3S/c10-9(8-2-1-7-13-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6,10H2
InChIKeyMGGRKLAQJHUZMX-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.61
Rot. Bonds2

About piperazin-1-yl(thiophen-2-yl)methanamine

piperazin-1-yl(thiophen-2-yl)methanamine (PubChem CID 116939719) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is piperazin-1-yl(thiophen-2-yl)methanamine.

Molecular Properties

Compound Namepiperazin-1-yl(thiophen-2-yl)methanamine
PubChem CID116939719
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Namepiperazin-1-yl(thiophen-2-yl)methanamine
SMILESNC(c1cccs1)N1CCNCC1
InChIInChI=1S/C9H15N3S/c10-9(8-2-1-7-13-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6,10H2
InChIKeyMGGRKLAQJHUZMX-UHFFFAOYSA-N
XLogP0.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
CID 8893243
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(thiophen-2-yl)methanamine?
The IUPAC name of piperazin-1-yl(thiophen-2-yl)methanamine (CID 116939719) is piperazin-1-yl(thiophen-2-yl)methanamine.
What is the SMILES notation for piperazin-1-yl(thiophen-2-yl)methanamine?
The canonical SMILES for piperazin-1-yl(thiophen-2-yl)methanamine is NC(c1cccs1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(thiophen-2-yl)methanamine?
The InChIKey is MGGRKLAQJHUZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-9(8-2-1-7-13-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6,10H2.
What are the key properties of piperazin-1-yl(thiophen-2-yl)methanamine?
piperazin-1-yl(thiophen-2-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(thiophen-2-yl)methanamine is sourced from PubChem (CID 116939719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).