1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol

C13H29N3O2 — CID 81055538

IUPAC1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCC(C)OCCN(C)CC(O)CN1CCNCC1
InChIInChI=1S/C13H29N3O2/c1-12(2)18-9-8-15(3)10-13(17)11-16-6-4-14-5-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyZHEXZPSZYZUMOT-UHFFFAOYSA-N
MW259.39 g/mol
LogP-0.39
Rot. Bonds8

About 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 81055538) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID81055538
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCC(C)OCCN(C)CC(O)CN1CCNCC1
InChIInChI=1S/C13H29N3O2/c1-12(2)18-9-8-15(3)10-13(17)11-16-6-4-14-5-7-16/h12-14,17H,4-11H2,1-3H3
InChIKeyZHEXZPSZYZUMOT-UHFFFAOYSA-N
XLogP-0.39
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448121
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 112561816
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450384
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 81055538) is 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol is CC(C)OCCN(C)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is ZHEXZPSZYZUMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-12(2)18-9-8-15(3)10-13(17)11-16-6-4-14-5-7-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 259.39 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 81055538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).