1-(ethylamino)-3-piperazin-1-ylpropan-2-ol

C9H21N3O — CID 15255604

IUPAC1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
SMILESCCNCC(O)CN1CCNCC1
InChIInChI=1S/C9H21N3O/c1-2-10-7-9(13)8-12-5-3-11-4-6-12/h9-11,13H,2-8H2,1H3
InChIKeyAUYSZMZTVYOPBN-UHFFFAOYSA-N
MW187.29 g/mol
LogP-1.14
Rot. Bonds5

About 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol

1-(ethylamino)-3-piperazin-1-ylpropan-2-ol (PubChem CID 15255604) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
PubChem CID15255604
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
SMILESCCNCC(O)CN1CCNCC1
InChIInChI=1S/C9H21N3O/c1-2-10-7-9(13)8-12-5-3-11-4-6-12/h9-11,13H,2-8H2,1H3
InChIKeyAUYSZMZTVYOPBN-UHFFFAOYSA-N
XLogP-1.14
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
1-butan-2-ylsulfanyl-3-piperazin-1-ylpropan-2-ol
CID 65449840

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol (CID 15255604) is 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol is CCNCC(O)CN1CCNCC1.
What is the InChIKey of 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is AUYSZMZTVYOPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-10-7-9(13)8-12-5-3-11-4-6-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol?
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 187.29 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 15255604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).