(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol

C11H20N2O — CID 142944063

IUPAC(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C(=C/CC)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-5-10(11(14)4-2)13-8-6-12-7-9-13/h4-5,12,14H,3,6-9H2,1-2H3/b10-5+,11-4+
InChIKeyYTBPBYZUYFOIAI-HRCIMPOESA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds3

About (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol

(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol (PubChem CID 142944063) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol
PubChem CID142944063
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C(=C/CC)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-5-10(11(14)4-2)13-8-6-12-7-9-13/h4-5,12,14H,3,6-9H2,1-2H3/b10-5+,11-4+
InChIKeyYTBPBYZUYFOIAI-HRCIMPOESA-N
XLogP1.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
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'}

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Related Compounds

6-(Aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol
CID 118649570
(3E,5E)-5-piperazin-1-ylhepta-1,3,5-trien-4-ol
CID 141948335
(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
ethane;(3E,5E)-5-(propylamino)octa-3,5-dien-4-ol
CID 143711001
(3E)-2-(propylamino)hexa-1,3-dien-3-ol
CID 166783149
6-methyl-2-(methylaminomethyl)-1H-pyridin-2-ol
CID 172680975
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
CID 143561889
(3E,5E)-5-(propylamino)octa-3,5-dien-4-ol
CID 143711002

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol (CID 142944063) is (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol is C/C=C(O)\C(=C/CC)N1CCNCC1.
What is the InChIKey of (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol?
The InChIKey is YTBPBYZUYFOIAI-HRCIMPOESA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-10(11(14)4-2)13-8-6-12-7-9-13/h4-5,12,14H,3,6-9H2,1-2H3/b10-5+,11-4+.
What are the key properties of (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol?
(2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol has a molecular weight of 196.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-piperazin-1-ylhepta-2,4-dien-3-ol is sourced from PubChem (CID 142944063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).