2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol

C13H22BrNO — CID 15358962

IUPAC2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol
SMILESC/C=C(Br)/C=C/CN1CCCCC1CCO
InChIInChI=1S/C13H22BrNO/c1-2-12(14)6-5-10-15-9-4-3-7-13(15)8-11-16/h2,5-6,13,16H,3-4,7-11H2,1H3/b6-5+,12-2-
InChIKeyXOBGJUPDRQMTHE-DDPXZRBBSA-N
MW288.23 g/mol
LogP3.08
Rot. Bonds5

About 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol

2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol (PubChem CID 15358962) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol
PubChem CID15358962
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol
SMILESC/C=C(Br)/C=C/CN1CCCCC1CCO
InChIInChI=1S/C13H22BrNO/c1-2-12(14)6-5-10-15-9-4-3-7-13(15)8-11-16/h2,5-6,13,16H,3-4,7-11H2,1H3/b6-5+,12-2-
InChIKeyXOBGJUPDRQMTHE-DDPXZRBBSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358964
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-2-yl]ethanol
CID 144430928
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343
[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]methanol
CID 21598625
[1-[(2Z,4E)-3-bromohexa-2,4-dienyl]piperidin-2-yl]methanol
CID 21598626
2-(1-Prop-2-enylpiperidin-2-yl)ethanol
CID 60690461
2-[1-(3-Methylbut-2-enyl)piperidin-2-yl]ethanol
CID 60690496
2-[1-(2-Bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 62020830
2-(1-But-3-en-2-ylpiperidin-2-yl)ethanol
CID 62383076
2-(1-But-2-enylpiperidin-2-yl)ethanol
CID 76932388
[1-(2-Bromoprop-2-enyl)-6-methylpiperidin-2-yl]methanol
CID 112387243
1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol
CID 114338131

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol (CID 15358962) is 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol is C/C=C(Br)/C=C/CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol?
The InChIKey is XOBGJUPDRQMTHE-DDPXZRBBSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-2-12(14)6-5-10-15-9-4-3-7-13(15)8-11-16/h2,5-6,13,16H,3-4,7-11H2,1H3/b6-5+,12-2-.
What are the key properties of 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol?
2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol has a molecular weight of 288.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 15358962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).