1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine

C16H26N2 — CID 167290576

IUPAC1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine
SMILESC=C/C=C\C(=C/C=C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2/c1-6-8-10-15(9-7-2)17-11-13-18(14-12-17)16(3,4)5/h6-10H,1-2,11-14H2,3-5H3/b10-8-,15-9+
InChIKeyCDEOQKCSSCXVAL-MNSIHRJDSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds4

About 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine

1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine (PubChem CID 167290576) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine
PubChem CID167290576
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine
SMILESC=C/C=C\C(=C/C=C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2/c1-6-8-10-15(9-7-2)17-11-13-18(14-12-17)16(3,4)5/h6-10H,1-2,11-14H2,3-5H3/b10-8-,15-9+
InChIKeyCDEOQKCSSCXVAL-MNSIHRJDSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
CID 174194797
1-methyl-6-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 20511065
8-(4-methylpiperazin-1-yl)-4H-quinolizine
CID 54192911
1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
CID 58337005
Carbanide;1-methyl-4-phenylpiperazine;yttrium
CID 58870665
4-Tert-butyl-1-methyl-2-methylidenepiperazine
CID 66767364
1-prop-2-enyl-6-(1-prop-2-enyl-2H-pyridin-6-yl)-2H-pyridine
CID 88449663
1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
CID 88909240
(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine
CID 88914774

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine (CID 167290576) is 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine is C=C/C=C\C(=C/C=C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine?
The InChIKey is CDEOQKCSSCXVAL-MNSIHRJDSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-8-10-15(9-7-2)17-11-13-18(14-12-17)16(3,4)5/h6-10H,1-2,11-14H2,3-5H3/b10-8-,15-9+.
What are the key properties of 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine?
1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazine is sourced from PubChem (CID 167290576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).