4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine

C17H29N3O2 — CID 142156440

IUPAC4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
SMILESC=C/C(OCCN1CCOCC1)=C(\C=C/C)N1CCNCC1
InChIInChI=1S/C17H29N3O2/c1-3-5-16(20-8-6-18-7-9-20)17(4-2)22-15-12-19-10-13-21-14-11-19/h3-5,18H,2,6-15H2,1H3/b5-3-,17-16-
InChIKeyWETZQGSCXYXUPQ-AOSYQNLOSA-N
MW307.44 g/mol
LogP1.21
Rot. Bonds7

About 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine

4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine (PubChem CID 142156440) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
PubChem CID142156440
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
SMILESC=C/C(OCCN1CCOCC1)=C(\C=C/C)N1CCNCC1
InChIInChI=1S/C17H29N3O2/c1-3-5-16(20-8-6-18-7-9-20)17(4-2)22-15-12-19-10-13-21-14-11-19/h3-5,18H,2,6-15H2,1H3/b5-3-,17-16-
InChIKeyWETZQGSCXYXUPQ-AOSYQNLOSA-N
XLogP1.21
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine (CID 142156440) is 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine is C=C/C(OCCN1CCOCC1)=C(\C=C/C)N1CCNCC1.
What is the InChIKey of 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The InChIKey is WETZQGSCXYXUPQ-AOSYQNLOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-5-16(20-8-6-18-7-9-20)17(4-2)22-15-12-19-10-13-21-14-11-19/h3-5,18H,2,6-15H2,1H3/b5-3-,17-16-.
What are the key properties of 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine has a molecular weight of 307.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 142156440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).