1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol

C10H22N2O2 — CID 63554954

IUPAC1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCNC(C)C1
InChIInChI=1S/C10H22N2O2/c1-3-14-8-10(13)7-12-5-4-11-9(2)6-12/h9-11,13H,3-8H2,1-2H3
InChIKeyMMSSQSSHSVMOID-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.32
Rot. Bonds5

About 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol

1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol (PubChem CID 63554954) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
PubChem CID63554954
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCNC(C)C1
InChIInChI=1S/C10H22N2O2/c1-3-14-8-10(13)7-12-5-4-11-9(2)6-12/h9-11,13H,3-8H2,1-2H3
InChIKeyMMSSQSSHSVMOID-UHFFFAOYSA-N
XLogP-0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-[(3R)-3-methylpiperazin-1-yl]butan-2-ol
CID 104975632
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
CID 104977369
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
2-(3-ethoxy-2-hydroxypropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103665
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol (CID 63554954) is 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol is CCOCC(O)CN1CCNC(C)C1.
What is the InChIKey of 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is MMSSQSSHSVMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-14-8-10(13)7-12-5-4-11-9(2)6-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol?
1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 202.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 63554954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).