1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol

C12H26N2O2 — CID 2937551

IUPAC1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCCN1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C12H26N2O2/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyIIIGPOUGGLKXEE-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.41
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol

1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 2937551) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID2937551
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCCN1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C12H26N2O2/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyIIIGPOUGGLKXEE-UHFFFAOYSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol (CID 2937551) is 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol is CCN1CCN(CC(O)COC(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is IIIGPOUGGLKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 2937551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).