4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine

C12H21NO — CID 169112307

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine
SMILESC/C=C\C(=C/C)OC1CCN(C)CC1
InChIInChI=1S/C12H21NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,7-10H2,1-3H3/b6-4-,11-5+
InChIKeyNDUPQPIHBXBBSV-NQTKGXIKSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds3

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine

4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine (PubChem CID 169112307) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine
PubChem CID169112307
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine
SMILESC/C=C\C(=C/C)OC1CCN(C)CC1
InChIInChI=1S/C12H21NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,7-10H2,1-3H3/b6-4-,11-5+
InChIKeyNDUPQPIHBXBBSV-NQTKGXIKSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(7-Fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine
CID 123388373
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 139437788
1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
CID 142009456
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
N-ethyl-3-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]oxy-N-propylbutan-1-amine
CID 142159520
1-Methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
CID 142206696
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
4-(3-Piperidinopropoxy)phenylmagnesium bromide
CID 57672029
1-Methyl-4-prop-2-enoxypiperidine
CID 59007495
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]piperidine
CID 59881290

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine (CID 169112307) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine is C/C=C\C(=C/C)OC1CCN(C)CC1.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine?
The InChIKey is NDUPQPIHBXBBSV-NQTKGXIKSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,7-10H2,1-3H3/b6-4-,11-5+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 169112307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).