(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol

C14H30N2O2 — CID 30637661

IUPAC(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCN1CCN(C[C@H](O)COC(C)(C)CC)CC1
InChIInChI=1S/C14H30N2O2/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16/h13,17H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyPCYIMOFJVYHDKU-ZDUSSCGKSA-N
MW258.41 g/mol
LogP1.19
Rot. Bonds7

About (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol

(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol (PubChem CID 30637661) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
PubChem CID30637661
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCN1CCN(C[C@H](O)COC(C)(C)CC)CC1
InChIInChI=1S/C14H30N2O2/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16/h13,17H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyPCYIMOFJVYHDKU-ZDUSSCGKSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(azepan-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 35581687
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
(2R)-1-(2-methylpent-4-yn-2-yloxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 35581643
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003
(2R)-1-(azepan-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 42589284
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 30726501
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
CID 16958216
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
ethyl 4-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]piperazine-1-carboxylate
CID 42589276
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 43364508

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol (CID 30637661) is (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol is CCN1CCN(C[C@H](O)COC(C)(C)CC)CC1.
What is the InChIKey of (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol?
The InChIKey is PCYIMOFJVYHDKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16/h13,17H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol?
(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol is sourced from PubChem (CID 30637661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).