3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine

C14H28N2O — CID 114264823

IUPAC3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine
SMILESC=CCOC(C)CN1CCNC(C(C)CC)C1
InChIInChI=1S/C14H28N2O/c1-5-9-17-13(4)10-16-8-7-15-14(11-16)12(3)6-2/h5,12-15H,1,6-11H2,2-4H3
InChIKeyFCXRSWDRLYPKEU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds7

About 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine

3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine (PubChem CID 114264823) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine
PubChem CID114264823
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine
SMILESC=CCOC(C)CN1CCNC(C(C)CC)C1
InChIInChI=1S/C14H28N2O/c1-5-9-17-13(4)10-16-8-7-15-14(11-16)12(3)6-2/h5,12-15H,1,6-11H2,2-4H3
InChIKeyFCXRSWDRLYPKEU-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
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-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine (CID 114264823) is 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine is C=CCOC(C)CN1CCNC(C(C)CC)C1.
What is the InChIKey of 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine?
The InChIKey is FCXRSWDRLYPKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-9-17-13(4)10-16-8-7-15-14(11-16)12(3)6-2/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine?
3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-prop-2-enoxypropyl)piperazine is sourced from PubChem (CID 114264823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).