1-(1-ethoxypropan-2-yl)-3-methylpiperazine

C10H22N2O — CID 64953136

IUPAC1-(1-ethoxypropan-2-yl)-3-methylpiperazine
SMILESCCOCC(C)N1CCNC(C)C1
InChIInChI=1S/C10H22N2O/c1-4-13-8-10(3)12-6-5-11-9(2)7-12/h9-11H,4-8H2,1-3H3
InChIKeyWVDAQRALUVSLNH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

About 1-(1-ethoxypropan-2-yl)-3-methylpiperazine

1-(1-ethoxypropan-2-yl)-3-methylpiperazine (PubChem CID 64953136) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-3-methylpiperazine
PubChem CID64953136
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(1-ethoxypropan-2-yl)-3-methylpiperazine
SMILESCCOCC(C)N1CCNC(C)C1
InChIInChI=1S/C10H22N2O/c1-4-13-8-10(3)12-6-5-11-9(2)7-12/h9-11H,4-8H2,1-3H3
InChIKeyWVDAQRALUVSLNH-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine
CID 123420173
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
CID 130653889
1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 63554954
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
1-(1-cyclopropylpropyl)-3-methylpiperazine
CID 65417230
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-3-methylpiperazine?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-3-methylpiperazine (CID 64953136) is 1-(1-ethoxypropan-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-3-methylpiperazine is CCOCC(C)N1CCNC(C)C1.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-3-methylpiperazine?
The InChIKey is WVDAQRALUVSLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-13-8-10(3)12-6-5-11-9(2)7-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethoxypropan-2-yl)-3-methylpiperazine?
1-(1-ethoxypropan-2-yl)-3-methylpiperazine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-3-methylpiperazine is sourced from PubChem (CID 64953136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).