2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C13H23N3S — CID 115255363

IUPAC2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)CN1CCNCC1
InChIInChI=1S/C13H23N3S/c1-12(11-16-6-4-14-5-7-16)9-15-10-13-3-2-8-17-13/h2-3,8,12,14-15H,4-7,9-11H2,1H3
InChIKeyOUXNEJNYJFNPLO-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 115255363) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID115255363
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)CN1CCNCC1
InChIInChI=1S/C13H23N3S/c1-12(11-16-6-4-14-5-7-16)9-15-10-13-3-2-8-17-13/h2-3,8,12,14-15H,4-7,9-11H2,1H3
InChIKeyOUXNEJNYJFNPLO-UHFFFAOYSA-N
XLogP1.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259950
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837176
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 115255405
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 115255363) is 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)CN1CCNCC1.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is OUXNEJNYJFNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-12(11-16-6-4-14-5-7-16)9-15-10-13-3-2-8-17-13/h2-3,8,12,14-15H,4-7,9-11H2,1H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 115255363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).