1-methyl-1-(2-propoxyethyl)piperazin-1-ium

C10H23N2O+ — CID 69235991

IUPAC1-methyl-1-(2-propoxyethyl)piperazin-1-ium
SMILESCCCOCC[N+]1(C)CCNCC1
InChIInChI=1S/C10H23N2O/c1-3-9-13-10-8-12(2)6-4-11-5-7-12/h11H,3-10H2,1-2H3/q+1
InChIKeyNHWPPNPNVVFGBE-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.46
Rot. Bonds5

About 1-methyl-1-(2-propoxyethyl)piperazin-1-ium

1-methyl-1-(2-propoxyethyl)piperazin-1-ium (PubChem CID 69235991) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-methyl-1-(2-propoxyethyl)piperazin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(2-propoxyethyl)piperazin-1-ium
PubChem CID69235991
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Name1-methyl-1-(2-propoxyethyl)piperazin-1-ium
SMILESCCCOCC[N+]1(C)CCNCC1
InChIInChI=1S/C10H23N2O/c1-3-9-13-10-8-12(2)6-4-11-5-7-12/h11H,3-10H2,1-2H3/q+1
InChIKeyNHWPPNPNVVFGBE-UHFFFAOYSA-N
XLogP0.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-propoxyethyl)piperazin-1-ium?
The IUPAC name of 1-methyl-1-(2-propoxyethyl)piperazin-1-ium (CID 69235991) is 1-methyl-1-(2-propoxyethyl)piperazin-1-ium.
What is the SMILES notation for 1-methyl-1-(2-propoxyethyl)piperazin-1-ium?
The canonical SMILES for 1-methyl-1-(2-propoxyethyl)piperazin-1-ium is CCCOCC[N+]1(C)CCNCC1.
What is the InChIKey of 1-methyl-1-(2-propoxyethyl)piperazin-1-ium?
The InChIKey is NHWPPNPNVVFGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O/c1-3-9-13-10-8-12(2)6-4-11-5-7-12/h11H,3-10H2,1-2H3/q+1.
What are the key properties of 1-methyl-1-(2-propoxyethyl)piperazin-1-ium?
1-methyl-1-(2-propoxyethyl)piperazin-1-ium has a molecular weight of 187.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-propoxyethyl)piperazin-1-ium is sourced from PubChem (CID 69235991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).