1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine

C11H20N2O — CID 142202943

IUPAC1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
SMILESC=C/C=C(/OC)C(C)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13/h4-5,10,12H,1,6-9H2,2-3H3/b11-5+
InChIKeyHGBNVXSSHHGMPD-VZUCSPMQSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds4

About 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine

1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine (PubChem CID 142202943) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
PubChem CID142202943
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine
SMILESC=C/C=C(/OC)C(C)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13/h4-5,10,12H,1,6-9H2,2-3H3/b11-5+
InChIKeyHGBNVXSSHHGMPD-VZUCSPMQSA-N
XLogP1.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

N-(2-cyclohexa-1,3-dien-1-yloxyethyl)-N'-propan-2-ylethane-1,2-diamine
CID 123930931
1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
CID 129231954
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921
1-[(E)-2-methoxypent-2-enyl]piperazine
CID 143703301
1-[(Z)-2-methoxypent-2-enyl]piperazine
CID 144961828
(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
CID 146359903
1-(2-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 170254019

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine?
The IUPAC name of 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine (CID 142202943) is 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine.
What is the SMILES notation for 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine?
The canonical SMILES for 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine is C=C/C=C(/OC)C(C)N1CCNCC1.
What is the InChIKey of 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine?
The InChIKey is HGBNVXSSHHGMPD-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13/h4-5,10,12H,1,6-9H2,2-3H3/b11-5+.
What are the key properties of 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine?
1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine has a molecular weight of 196.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-methoxyhexa-3,5-dien-2-yl]piperazine is sourced from PubChem (CID 142202943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).