2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane

C16H29NO — CID 144830251

IUPAC2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane
SMILESCC.CCOC(C1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C14H23NO.C2H6/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3;1-2H3
InChIKeyYKZILOZFIUYFRI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.84
Rot. Bonds4

About 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane

2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane (PubChem CID 144830251) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane.

Molecular Properties

Compound Name2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane
PubChem CID144830251
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane
SMILESCC.CCOC(C1=CCCC=C1)C1CCCCN1
InChIInChI=1S/C14H23NO.C2H6/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3;1-2H3
InChIKeyYKZILOZFIUYFRI-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl-(9-oxa-bicyclo[3.3.1]non-6-en-2-yl)-amine
CID 545919
1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496629
2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine
CID 67006471
(2R)-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)morpholine
CID 67073069
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-(Cyclohexen-1-yl)morpholine
CID 69728825
2-(Cyclohepten-1-yl)morpholine
CID 70431555
2-(Cycloocten-1-yl)morpholine
CID 70431666
10-Methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
CID 70485368

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane?
The IUPAC name of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane (CID 144830251) is 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane.
What is the SMILES notation for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane?
The canonical SMILES for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane is CC.CCOC(C1=CCCC=C1)C1CCCCN1.
What is the InChIKey of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane?
The InChIKey is YKZILOZFIUYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C2H6/c1-2-16-14(12-8-4-3-5-9-12)13-10-6-7-11-15-13;1-2/h4,8-9,13-15H,2-3,5-7,10-11H2,1H3;1-2H3.
What are the key properties of 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane?
2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane has a molecular weight of 251.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine;ethane is sourced from PubChem (CID 144830251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).