3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol

C13H26N2O — CID 10307992

IUPAC3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol
SMILESC=CC(O)(CC)C(C)CN1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-13(16,6-2)12(3)11-15-9-7-14(4)8-10-15/h5,12,16H,1,6-11H2,2-4H3
InChIKeyGKRMESKJNJWVDL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.20
Rot. Bonds5

About 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol

3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol (PubChem CID 10307992) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol
PubChem CID10307992
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol
SMILESC=CC(O)(CC)C(C)CN1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-13(16,6-2)12(3)11-15-9-7-14(4)8-10-15/h5,12,16H,1,6-11H2,2-4H3
InChIKeyGKRMESKJNJWVDL-UHFFFAOYSA-N
XLogP1.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol?
The IUPAC name of 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol (CID 10307992) is 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol.
What is the SMILES notation for 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol?
The canonical SMILES for 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol is C=CC(O)(CC)C(C)CN1CCN(C)CC1.
What is the InChIKey of 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol?
The InChIKey is GKRMESKJNJWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(16,6-2)12(3)11-15-9-7-14(4)8-10-15/h5,12,16H,1,6-11H2,2-4H3.
What are the key properties of 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol?
3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol has a molecular weight of 226.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 10307992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).