2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine

C13H25N5O — CID 89250336

IUPAC2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine
SMILESC=C(/C=C(/COC(C)C)N=C(N)N)N1CCNCC1
InChIInChI=1S/C13H25N5O/c1-10(2)19-9-12(17-13(14)15)8-11(3)18-6-4-16-5-7-18/h8,10,16H,3-7,9H2,1-2H3,(H4,14,15,17)/b12-8-
InChIKeyOSAFTZUYEKCMPL-WQLSENKSSA-N
MW267.38 g/mol
LogP-0.01
Rot. Bonds6

About 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine

2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine (PubChem CID 89250336) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine
PubChem CID89250336
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine
SMILESC=C(/C=C(/COC(C)C)N=C(N)N)N1CCNCC1
InChIInChI=1S/C13H25N5O/c1-10(2)19-9-12(17-13(14)15)8-11(3)18-6-4-16-5-7-18/h8,10,16H,3-7,9H2,1-2H3,(H4,14,15,17)/b12-8-
InChIKeyOSAFTZUYEKCMPL-WQLSENKSSA-N
XLogP-0.01
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine?
The IUPAC name of 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine (CID 89250336) is 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine is C=C(/C=C(/COC(C)C)N=C(N)N)N1CCNCC1.
What is the InChIKey of 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine?
The InChIKey is OSAFTZUYEKCMPL-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)19-9-12(17-13(14)15)8-11(3)18-6-4-16-5-7-18/h8,10,16H,3-7,9H2,1-2H3,(H4,14,15,17)/b12-8-.
What are the key properties of 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine?
2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine has a molecular weight of 267.38 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-4-piperazin-1-yl-1-propan-2-yloxypenta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 89250336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).