1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine

C13H21NO — CID 145145811

IUPAC1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine
SMILESCCOC1CCCN(C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7-8,13H,2-3,5-6,9-11H2,1H3
InChIKeyLSATWCGGIUWFNB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine

1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine (PubChem CID 145145811) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine
PubChem CID145145811
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine
SMILESCCOC1CCCN(C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7-8,13H,2-3,5-6,9-11H2,1H3
InChIKeyLSATWCGGIUWFNB-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methoxycyclohexen-1-yl)morpholine
CID 15658164
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
CID 141086244
4-Cyclohexa-1,3-dien-1-ylmorpholine
CID 12664078
(e)-5-Morpholino-4-nonene
CID 12725345
4-(3,4-Dimethylcyclohexa-1,3-dien-1-yl)morpholine
CID 12794202
4-(4-Methylcyclohexa-1,3-dien-1-yl)morpholine
CID 13023797
4-[(Z)-non-4-en-5-yl]morpholine
CID 20213106
5-Morpholinonon-4-ene
CID 56630527
4-(Cyclohexen-1-yl)-2-methylmorpholine
CID 70546443
5-(2,6-Dimethylmorpholin-4-yl)cyclohexa-1,3-dien-1-amine
CID 70974399
5-(2,6-Dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-amine
CID 71040370
3-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-7-oxa-3-azabicyclo[4.1.0]heptane
CID 88795489

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine (CID 145145811) is 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine is CCOC1CCCN(C2=CCCC=C2)C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine?
The InChIKey is LSATWCGGIUWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7-8,13H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine?
1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine is sourced from PubChem (CID 145145811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).