4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine

C16H25NO — CID 123483470

IUPAC4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine
SMILESC=CC1=C(C=C)CC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H25NO/c1-3-14-5-6-16(11-15(14)4-2)18-12-13-7-9-17-10-8-13/h3-4,13,16-17H,1-2,5-12H2
InChIKeyMBNBKAQGYOYEFY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.22
Rot. Bonds5

About 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine

4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine (PubChem CID 123483470) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine
PubChem CID123483470
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine
SMILESC=CC1=C(C=C)CC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H25NO/c1-3-14-5-6-16(11-15(14)4-2)18-12-13-7-9-17-10-8-13/h3-4,13,16-17H,1-2,5-12H2
InChIKeyMBNBKAQGYOYEFY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine?
The IUPAC name of 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine (CID 123483470) is 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine.
What is the SMILES notation for 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine?
The canonical SMILES for 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine is C=CC1=C(C=C)CC(OCC2CCNCC2)CC1.
What is the InChIKey of 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine?
The InChIKey is MBNBKAQGYOYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-5-6-16(11-15(14)4-2)18-12-13-7-9-17-10-8-13/h3-4,13,16-17H,1-2,5-12H2.
What are the key properties of 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine?
4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,4-bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine is sourced from PubChem (CID 123483470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).