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

C14H24BrNO — CID 15358965

IUPAC[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol
SMILESCC(C)/C=C(Br)/C=C/CN1CCCCC1CO
InChIInChI=1S/C14H24BrNO/c1-12(2)10-13(15)6-5-9-16-8-4-3-7-14(16)11-17/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3/b6-5+,13-10-
InChIKeyATPYZUFZBRLIBR-KWQUGSDZSA-N
MW302.26 g/mol
LogP3.32
Rot. Bonds5

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

[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol (PubChem CID 15358965) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol
PubChem CID15358965
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol
SMILESCC(C)/C=C(Br)/C=C/CN1CCCCC1CO
InChIInChI=1S/C14H24BrNO/c1-12(2)10-13(15)6-5-9-16-8-4-3-7-14(16)11-17/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3/b6-5+,13-10-
InChIKeyATPYZUFZBRLIBR-KWQUGSDZSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]ethanol
CID 15358964
[(2S)-1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]pyrrolidin-2-yl]methanol
CID 15358966
[1-(1-Ethylcyclohexa-2,4-dien-1-yl)piperidin-2-yl]methanol
CID 70044331
[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol
CID 121373609
[(5E)-1-ethyl-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 143866514
ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
CID 144575297
[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
[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
CID 144575298

Frequently Asked Questions

What is the IUPAC name of [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol (CID 15358965) is [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol is CC(C)/C=C(Br)/C=C/CN1CCCCC1CO.
What is the InChIKey of [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol?
The InChIKey is ATPYZUFZBRLIBR-KWQUGSDZSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-12(2)10-13(15)6-5-9-16-8-4-3-7-14(16)11-17/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3/b6-5+,13-10-.
What are the key properties of [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol?
[1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol has a molecular weight of 302.26 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]piperidin-2-yl]methanol is sourced from PubChem (CID 15358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).