1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine

C12H21NO — CID 11194911

IUPAC1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine
SMILESC=C(/C=C(/C)N1CCCCC1)OCC
InChIInChI=1S/C12H21NO/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h10H,3-9H2,1-2H3/b11-10-
InChIKeyQDCVWNAFSJLMNR-KHPPLWFESA-N
MW195.31 g/mol
LogP2.93
Rot. Bonds4

About 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine

1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine (PubChem CID 11194911) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine.

Molecular Properties

Compound Name1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine
PubChem CID11194911
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine
SMILESC=C(/C=C(/C)N1CCCCC1)OCC
InChIInChI=1S/C12H21NO/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h10H,3-9H2,1-2H3/b11-10-
InChIKeyQDCVWNAFSJLMNR-KHPPLWFESA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.93
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-[(2E,4Z)-6-ethoxy-4,5-difluorohepta-2,4,6-trien-3-yl]-4-methylpiperidine
CID 141967621
1-(2H-pyran-5-yl)piperidine
CID 23293741
1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]piperidine
CID 59881290
1-(4-Hexa-1,3,5-trien-2-yloxybutyl)piperidine
CID 72586536
1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
CID 146604716
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 155465253
1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]-1-methylpiperidin-1-ium
CID 145672637
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-methylpiperidine
CID 169112307

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine?
The IUPAC name of 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine (CID 11194911) is 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine.
What is the SMILES notation for 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine?
The canonical SMILES for 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine is C=C(/C=C(/C)N1CCCCC1)OCC.
What is the InChIKey of 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine?
The InChIKey is QDCVWNAFSJLMNR-KHPPLWFESA-N. The full InChI is InChI=1S/C12H21NO/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h10H,3-9H2,1-2H3/b11-10-.
What are the key properties of 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine?
1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-4-ethoxypenta-2,4-dien-2-yl]piperidine is sourced from PubChem (CID 11194911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).