1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol

C13H23N3OS — CID 65448493

IUPAC1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(Cc1cccs1)CC(O)CN1CCNCC1
InChIInChI=1S/C13H23N3OS/c1-15(11-13-3-2-8-18-13)9-12(17)10-16-6-4-14-5-7-16/h2-3,8,12,14,17H,4-7,9-11H2,1H3
InChIKeyLOTGSVSNDYNVQE-UHFFFAOYSA-N
MW269.41 g/mol
LogP0.45
Rot. Bonds6

About 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448493) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65448493
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(Cc1cccs1)CC(O)CN1CCNCC1
InChIInChI=1S/C13H23N3OS/c1-15(11-13-3-2-8-18-13)9-12(17)10-16-6-4-14-5-7-16/h2-3,8,12,14,17H,4-7,9-11H2,1H3
InChIKeyLOTGSVSNDYNVQE-UHFFFAOYSA-N
XLogP0.45
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449817
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 111122241
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110885669
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115255363
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65448493) is 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol is CN(Cc1cccs1)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is LOTGSVSNDYNVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-15(11-13-3-2-8-18-13)9-12(17)10-16-6-4-14-5-7-16/h2-3,8,12,14,17H,4-7,9-11H2,1H3.
What are the key properties of 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).