1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine

C15H27NO — CID 123636866

IUPAC1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
SMILESCC=C(CC)C(=CC)OCCN1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-14(5-2)15(6-3)17-13-12-16-10-8-7-9-11-16/h4,6H,5,7-13H2,1-3H3
InChIKeyRTSHVLXVSNDAAI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds6

About 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine

1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine (PubChem CID 123636866) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
PubChem CID123636866
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
SMILESCC=C(CC)C(=CC)OCCN1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-14(5-2)15(6-3)17-13-12-16-10-8-7-9-11-16/h4,6H,5,7-13H2,1-3H3
InChIKeyRTSHVLXVSNDAAI-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
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-[2-(6-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 117975502
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
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
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine
CID 89355255
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine?
The IUPAC name of 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine (CID 123636866) is 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine is CC=C(CC)C(=CC)OCCN1CCCCC1.
What is the InChIKey of 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine?
The InChIKey is RTSHVLXVSNDAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-14(5-2)15(6-3)17-13-12-16-10-8-7-9-11-16/h4,6H,5,7-13H2,1-3H3.
What are the key properties of 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine?
1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine is sourced from PubChem (CID 123636866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).