1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol

C13H29N3O — CID 61429689

IUPAC1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-5-14-10-12(17)11-15-6-8-16(9-7-15)13(2,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyLIPNJMBUOJUCKL-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds5

About 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol

1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol (PubChem CID 61429689) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
PubChem CID61429689
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-5-14-10-12(17)11-15-6-8-16(9-7-15)13(2,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyLIPNJMBUOJUCKL-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol (CID 61429689) is 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol is CCNCC(O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol?
The InChIKey is LIPNJMBUOJUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-14-10-12(17)11-15-6-8-16(9-7-15)13(2,3)4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol?
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 61429689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).