2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane

C18H35N — CID 156863517

IUPAC2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane
SMILESC=C/C=C(\CC)CN1C(CC)CCCC1CC.CC
InChIInChI=1S/C16H29N.C2H6/c1-5-10-14(6-2)13-17-15(7-3)11-9-12-16(17)8-4;1-2/h5,10,15-16H,1,6-9,11-13H2,2-4H3;1-2H3/b14-10+;
InChIKeyFKZLLMQCCNHEBF-KMZJGFRYSA-N
MW265.49 g/mol
LogP5.58
Rot. Bonds6

About 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane

2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane (PubChem CID 156863517) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane.

Molecular Properties

Compound Name2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane
PubChem CID156863517
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane
SMILESC=C/C=C(\CC)CN1C(CC)CCCC1CC.CC
InChIInChI=1S/C16H29N.C2H6/c1-5-10-14(6-2)13-17-15(7-3)11-9-12-16(17)8-4;1-2/h5,10,15-16H,1,6-9,11-13H2,2-4H3;1-2H3/b14-10+;
InChIKeyFKZLLMQCCNHEBF-KMZJGFRYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diethyl-1-propylpiperidine
CID 170625295
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
1-[(2E)-2-propylpenta-2,4-dienyl]piperidine
CID 144806712
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
2,7-diethyl-1-methylazepane
CID 146499185
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 75399387
(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922765
ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
CID 170570727
(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 167714721

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane?
The IUPAC name of 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane (CID 156863517) is 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane.
What is the SMILES notation for 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane?
The canonical SMILES for 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane is C=C/C=C(\CC)CN1C(CC)CCCC1CC.CC.
What is the InChIKey of 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane?
The InChIKey is FKZLLMQCCNHEBF-KMZJGFRYSA-N. The full InChI is InChI=1S/C16H29N.C2H6/c1-5-10-14(6-2)13-17-15(7-3)11-9-12-16(17)8-4;1-2/h5,10,15-16H,1,6-9,11-13H2,2-4H3;1-2H3/b14-10+;.
What are the key properties of 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane?
2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane has a molecular weight of 265.49 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-[(2E)-2-ethylpenta-2,4-dienyl]piperidine;ethane is sourced from PubChem (CID 156863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).