(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol

C12H20N2O — CID 143561889

IUPAC(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
SMILESC=C/C=C\C(=C(\O)CC)N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-11(12(15)4-2)14-9-7-13-8-10-14/h3,5-6,13,15H,1,4,7-10H2,2H3/b6-5-,12-11-
InChIKeyDSALHAZKWLPHSQ-KSIKAEMPSA-N
MW208.31 g/mol
LogP1.81
Rot. Bonds4

About (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol

(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol (PubChem CID 143561889) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol.

Molecular Properties

Compound Name(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
PubChem CID143561889
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
SMILESC=C/C=C\C(=C(\O)CC)N1CCNCC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-11(12(15)4-2)14-9-7-13-8-10-14/h3,5-6,13,15H,1,4,7-10H2,2H3/b6-5-,12-11-
InChIKeyDSALHAZKWLPHSQ-KSIKAEMPSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol with MolForge

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Related Compounds

3-[Methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
CID 89224469
6-(Aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol
CID 118649570
(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921
(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol
CID 142944063
3-Piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 143618271
5-Piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 164031567
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
CID 168968776
(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
CID 168968812
6-Amino-2-piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 176132453

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol?
The IUPAC name of (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol (CID 143561889) is (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol.
What is the SMILES notation for (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol?
The canonical SMILES for (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol is C=C/C=C\C(=C(\O)CC)N1CCNCC1.
What is the InChIKey of (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol?
The InChIKey is DSALHAZKWLPHSQ-KSIKAEMPSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-11(12(15)4-2)14-9-7-13-8-10-14/h3,5-6,13,15H,1,4,7-10H2,2H3/b6-5-,12-11-.
What are the key properties of (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol?
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol has a molecular weight of 208.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol is sourced from PubChem (CID 143561889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).