ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine

C16H29N — CID 143142655

IUPACethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine
SMILESC=C/C(=C\C=C/C)CC1CCN(C)CC1.CC
InChIInChI=1S/C14H23N.C2H6/c1-4-6-7-13(5-2)12-14-8-10-15(3)11-9-14;1-2/h4-7,14H,2,8-12H2,1,3H3;1-2H3/b6-4-,13-7+;
InChIKeyVLXAHKLHZWNRMH-ZJPWNLOHSA-N
MW235.41 g/mol
LogP4.43
Rot. Bonds4

About ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine

ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine (PubChem CID 143142655) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine
PubChem CID143142655
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine
SMILESC=C/C(=C\C=C/C)CC1CCN(C)CC1.CC
InChIInChI=1S/C14H23N.C2H6/c1-4-6-7-13(5-2)12-14-8-10-15(3)11-9-14;1-2/h4-7,14H,2,8-12H2,1,3H3;1-2H3/b6-4-,13-7+;
InChIKeyVLXAHKLHZWNRMH-ZJPWNLOHSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.43
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

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
Cambridge id 5410985
CID 28239625
1-(3,7-Dimethyl-6-octen-1-yl)-4-methylpiperazine
CID 2845214
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine?
The IUPAC name of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine (CID 143142655) is ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine.
What is the SMILES notation for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine?
The canonical SMILES for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine is C=C/C(=C\C=C/C)CC1CCN(C)CC1.CC.
What is the InChIKey of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine?
The InChIKey is VLXAHKLHZWNRMH-ZJPWNLOHSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-4-6-7-13(5-2)12-14-8-10-15(3)11-9-14;1-2/h4-7,14H,2,8-12H2,1,3H3;1-2H3/b6-4-,13-7+;.
What are the key properties of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine?
ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine has a molecular weight of 235.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-1-methylpiperidine is sourced from PubChem (CID 143142655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).