2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol

C15H26BrNO — CID 15358964

IUPAC2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
SMILESCC(C)/C=C(Br)/C=C/CN1CCCCC1CCO
InChIInChI=1S/C15H26BrNO/c1-13(2)12-14(16)6-5-10-17-9-4-3-7-15(17)8-11-18/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3/b6-5+,14-12-
InChIKeyBIFRMBQULAKEEB-LAXYHDMGSA-N
MW316.28 g/mol
LogP3.71
Rot. Bonds6

About 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol

2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol (PubChem CID 15358964) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
PubChem CID15358964
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
SMILESCC(C)/C=C(Br)/C=C/CN1CCCCC1CCO
InChIInChI=1S/C15H26BrNO/c1-13(2)12-14(16)6-5-10-17-9-4-3-7-15(17)8-11-18/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3/b6-5+,14-12-
InChIKeyBIFRMBQULAKEEB-LAXYHDMGSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.71
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-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol with MolForge

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Related Compounds

[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol
CID 15358965
2-[3,5-Dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123183755
2-[1-(2-Methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123461604
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-2-yl]ethanol
CID 144430928
2-[1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperidin-2-yl]ethanol
CID 144575301
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
2-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358962
2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575344

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol (CID 15358964) is 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol is CC(C)/C=C(Br)/C=C/CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol?
The InChIKey is BIFRMBQULAKEEB-LAXYHDMGSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-13(2)12-14(16)6-5-10-17-9-4-3-7-15(17)8-11-18/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3/b6-5+,14-12-.
What are the key properties of 2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol?
2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol has a molecular weight of 316.28 g/mol, XLogP of 3.71, 6 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-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 15358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).