1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene

C12H26N2O — CID 171074491

IUPAC1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene
SMILESC=CC.CCOCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O.C3H6/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-3-2/h3-9H2,1-2H3;3H,1H2,2H3
InChIKeyRKVWWWOHLIWMLL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene

1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene (PubChem CID 171074491) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene
PubChem CID171074491
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene
SMILESC=CC.CCOCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O.C3H6/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-3-2/h3-9H2,1-2H3;3H,1H2,2H3
InChIKeyRKVWWWOHLIWMLL-UHFFFAOYSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene?
The IUPAC name of 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene (CID 171074491) is 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene?
The canonical SMILES for 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene is C=CC.CCOCCN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene?
The InChIKey is RKVWWWOHLIWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C3H6/c1-3-12-9-8-11-6-4-10(2)5-7-11;1-3-2/h3-9H2,1-2H3;3H,1H2,2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene?
1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene has a molecular weight of 214.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-methylpiperazine;prop-1-ene is sourced from PubChem (CID 171074491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).