1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

C13H29N3O — CID 62775672

IUPAC1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCCNCC(O)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-9-13(17)11-16-7-5-15(6-8-16)10-12(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyQXCXRVPDEMZDAG-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.23
Rot. Bonds7

About 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (PubChem CID 62775672) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
PubChem CID62775672
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCCNCC(O)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-9-13(17)11-16-7-5-15(6-8-16)10-12(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyQXCXRVPDEMZDAG-UHFFFAOYSA-N
XLogP0.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
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
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (CID 62775672) is 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is CCNCC(O)CN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QXCXRVPDEMZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-14-9-13(17)11-16-7-5-15(6-8-16)10-12(2)3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 62775672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).