1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine

C12H20BrN — CID 121012189

IUPAC1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine
SMILESC/C=C(Br)/C=C/C(C)N1CCCCC1
InChIInChI=1S/C12H20BrN/c1-3-12(13)8-7-11(2)14-9-5-4-6-10-14/h3,7-8,11H,4-6,9-10H2,1-2H3/b8-7+,12-3-
InChIKeyUPTMLLVUDTUHRZ-LUDCFUFLSA-N
MW258.20 g/mol
LogP3.72
Rot. Bonds3

About 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine

1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine (PubChem CID 121012189) has the molecular formula C12H20BrN and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine.

Molecular Properties

Compound Name1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine
PubChem CID121012189
Molecular FormulaC12H20BrN
Molecular Weight258.20 g/mol
Exact Mass257.08
IUPAC Name1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine
SMILESC/C=C(Br)/C=C/C(C)N1CCCCC1
InChIInChI=1S/C12H20BrN/c1-3-12(13)8-7-11(2)14-9-5-4-6-10-14/h3,7-8,11H,4-6,9-10H2,1-2H3/b8-7+,12-3-
InChIKeyUPTMLLVUDTUHRZ-LUDCFUFLSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
CID 177230403
1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
CID 142206747
(E)-5-(azetidin-1-yl)hex-3-en-2-one
CID 172576962
1-(4-methylpent-3-en-2-yl)piperidine
CID 134268073
(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
CID 143418446
3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
CID 173071742
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(1-methyliodanuidylethyl)piperidine
CID 163894930
(2R,3R)-3-piperidin-1-ylbutan-2-ol
CID 51980607
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine?
The IUPAC name of 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine (CID 121012189) is 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine.
What is the SMILES notation for 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine?
The canonical SMILES for 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine is C/C=C(Br)/C=C/C(C)N1CCCCC1.
What is the InChIKey of 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine?
The InChIKey is UPTMLLVUDTUHRZ-LUDCFUFLSA-N. The full InChI is InChI=1S/C12H20BrN/c1-3-12(13)8-7-11(2)14-9-5-4-6-10-14/h3,7-8,11H,4-6,9-10H2,1-2H3/b8-7+,12-3-.
What are the key properties of 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine?
1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine has a molecular weight of 258.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine is sourced from PubChem (CID 121012189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).