1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine

C14H24N2O — CID 142202958

IUPAC1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
SMILESC=C/C=C(\C=C/C(C)CN1CCNCC1)OC
InChIInChI=1S/C14H24N2O/c1-4-5-14(17-3)7-6-13(2)12-16-10-8-15-9-11-16/h4-7,13,15H,1,8-12H2,2-3H3/b7-6-,14-5+
InChIKeyLKTIMUQSOVFSBU-WFRORPSUSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds6

About 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine

1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine (PubChem CID 142202958) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine.

Molecular Properties

Compound Name1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
PubChem CID142202958
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
SMILESC=C/C=C(\C=C/C(C)CN1CCNCC1)OC
InChIInChI=1S/C14H24N2O/c1-4-5-14(17-3)7-6-13(2)12-16-10-8-15-9-11-16/h4-7,13,15H,1,8-12H2,2-3H3/b7-6-,14-5+
InChIKeyLKTIMUQSOVFSBU-WFRORPSUSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
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

2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
CID 54346570
1-(1-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 69797584
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-[(2Z,4Z)-3,4,5-trimethoxyocta-2,4,7-trienyl]piperazine
CID 89973152
1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
CID 129231954
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
1-[(2,4,5-Trimethoxycyclohepta-1,4,6-trien-1-yl)methyl]piperazine
CID 134536852
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
3-Methoxycyclohepta-1,3,5-triene;1-methylpiperazine
CID 141775181
1-[(2E,5E)-6-methoxyocta-2,5,7-trien-2-yl]piperazine
CID 142202931
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)piperazine
CID 142202945

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine?
The IUPAC name of 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine (CID 142202958) is 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine.
What is the SMILES notation for 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine?
The canonical SMILES for 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine is C=C/C=C(\C=C/C(C)CN1CCNCC1)OC.
What is the InChIKey of 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine?
The InChIKey is LKTIMUQSOVFSBU-WFRORPSUSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-14(17-3)7-6-13(2)12-16-10-8-15-9-11-16/h4-7,13,15H,1,8-12H2,2-3H3/b7-6-,14-5+.
What are the key properties of 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine?
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine has a molecular weight of 236.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine is sourced from PubChem (CID 142202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).