1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine

C13H21NO — CID 123679431

IUPAC1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine
SMILESCCOC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C13H21NO/c1-2-15-13-8-6-12(7-9-13)14-10-4-3-5-11-14/h6,8H,2-5,7,9-11H2,1H3
InChIKeyLUHMLOHNVSAFJU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine

1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 123679431) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine
PubChem CID123679431
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine
SMILESCCOC1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C13H21NO/c1-2-15-13-8-6-12(7-9-13)14-10-4-3-5-11-14/h6,8H,2-5,7,9-11H2,1H3
InChIKeyLUHMLOHNVSAFJU-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine
CID 143503258
1-(4-Methoxycyclohexen-1-yl)piperidine
CID 23342940
4-ethoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 68394026
4-(3-Piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine
CID 71228224
4-Piperidin-1-ylcyclohexa-1,3-dien-1-ol
CID 89484233
1-buta-1,3-dien-2-yl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 132126955
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)piperidine
CID 141109596
1-Cyclohexa-1,5-dien-1-yl-3-ethoxypiperidine
CID 145145811
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
5-(1-Methylpiperidin-4-yl)oxycyclohexa-1,5-dien-1-amine
CID 174368806
1-(3-Methoxycyclohexa-1,3-dien-1-yl)piperidine
CID 13211647
1-(5-Methoxy-3,3-dimethylcyclohexa-1,5-dien-1-yl)piperidine
CID 13211649

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine (CID 123679431) is 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine is CCOC1=CC=C(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is LUHMLOHNVSAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-15-13-8-6-12(7-9-13)14-10-4-3-5-11-14/h6,8H,2-5,7,9-11H2,1H3.
What are the key properties of 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine?
1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 123679431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).