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

C12H27ClN2O2 — CID 11958894

IUPAC1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCCN1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3;/h11-12,15H,4-10H2,1-3H3;1H
InChIKeyGPPBVYKUSABXSW-UHFFFAOYSA-N
MW266.81 g/mol
LogP0.83
Rot. Bonds6

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

1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 11958894) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
PubChem CID11958894
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCCN1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3;/h11-12,15H,4-10H2,1-3H3;1H
InChIKeyGPPBVYKUSABXSW-UHFFFAOYSA-N
XLogP0.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride (CID 11958894) is 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride is CCN1CCN(CC(O)COC(C)C)CC1.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is GPPBVYKUSABXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-4-13-5-7-14(8-6-13)9-12(15)10-16-11(2)3;/h11-12,15H,4-10H2,1-3H3;1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride?
1-(4-ethylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 0.83, 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;hydrochloride is sourced from PubChem (CID 11958894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).