1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol

C14H31N3O2 — CID 65448121

IUPAC1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCOCCN(CC(C)C)CC(O)CN1CCNCC1
InChIInChI=1S/C14H31N3O2/c1-13(2)10-17(8-9-19-3)12-14(18)11-16-6-4-15-5-7-16/h13-15,18H,4-12H2,1-3H3
InChIKeyQNAQHIHUWAZCSM-UHFFFAOYSA-N
MW273.42 g/mol
LogP-0.14
Rot. Bonds9

About 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448121) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65448121
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCOCCN(CC(C)C)CC(O)CN1CCNCC1
InChIInChI=1S/C14H31N3O2/c1-13(2)10-17(8-9-19-3)12-14(18)11-16-6-4-15-5-7-16/h13-15,18H,4-12H2,1-3H3
InChIKeyQNAQHIHUWAZCSM-UHFFFAOYSA-N
XLogP-0.14
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 81055538
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-(1,4-diazepan-1-yl)-3-(dibutylamino)propan-2-ol
CID 54773490
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450385
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450384

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65448121) is 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol is COCCN(CC(C)C)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is QNAQHIHUWAZCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-13(2)10-17(8-9-19-3)12-14(18)11-16-6-4-15-5-7-16/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 273.42 g/mol, XLogP of -0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).