But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

C18H31NO — CID 143349256

IUPACbut-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESCC=CC.CC1=CC(=CCC1)OCCN2CCCCC2
InChIInChI=1S/C14H23NO.C4H8/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15;1-3-4-2/h7,12H,2-6,8-11H2,1H3;3-4H,1-2H3
InChIKeyNQXGXWUUPTWHFX-UHFFFAOYSA-N
MW277.40 g/mol
LogP—
Rot. Bonds4

About But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (PubChem CID 143349256) has the molecular formula C18H31NO and a molecular weight of 277.40 g/mol. Its IUPAC name is but-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound NameBut-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
PubChem CID143349256
Molecular FormulaC18H31NO
Molecular Weight277.40 g/mol
Exact Mass277.24
IUPAC Namebut-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESCC=CC.CC1=CC(=CCC1)OCCN2CCCCC2
InChIInChI=1S/C14H23NO.C4H8/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15;1-3-4-2/h7,12H,2-6,8-11H2,1H3;3-4H,1-2H3
InChIKeyNQXGXWUUPTWHFX-UHFFFAOYSA-N
XLogP—
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
CID 89355258
1-[2-(6-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 117975502
1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
1-[2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173164077
1-[2-(2,6-Difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173184277
4,4-dimethyl-1-[2-[(2E,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethyl]piperidine
CID 145108003
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-[(3E)-3-ethyl-5-methylidenehepta-1,3-dien-4-yl]oxyethyl]azepane
CID 89584147
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793

Frequently Asked Questions

What is the IUPAC name of But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (CID 143349256) is but-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is CC=CC.CC1=CC(=CCC1)OCCN2CCCCC2.
What is the InChIKey of But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The InChIKey is NQXGXWUUPTWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C4H8/c1-13-6-5-7-14(12-13)16-11-10-15-8-3-2-4-9-15;1-3-4-2/h7,12H,2-6,8-11H2,1H3;3-4H,1-2H3.
What are the key properties of But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine has a molecular weight of 277.40 g/mol, XLogP of not available, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 143349256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).