4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine

C15H25NO2 — CID 22326850

IUPAC4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine
SMILESCOC1=CCCC=C1OCCC1CCN(C)CC1
InChIInChI=1S/C15H25NO2/c1-16-10-7-13(8-11-16)9-12-18-15-6-4-3-5-14(15)17-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyVYCQIZGNGRNJCO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine

4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine (PubChem CID 22326850) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine
PubChem CID22326850
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine
SMILESCOC1=CCCC=C1OCCC1CCN(C)CC1
InChIInChI=1S/C15H25NO2/c1-16-10-7-13(8-11-16)9-12-18-15-6-4-3-5-14(15)17-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyVYCQIZGNGRNJCO-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine 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-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine?
The IUPAC name of 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine (CID 22326850) is 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine is COC1=CCCC=C1OCCC1CCN(C)CC1.
What is the InChIKey of 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine?
The InChIKey is VYCQIZGNGRNJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16-10-7-13(8-11-16)9-12-18-15-6-4-3-5-14(15)17-2/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine?
4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine has a molecular weight of 251.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidine is sourced from PubChem (CID 22326850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).