ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine

C17H33NO — CID 143178162

IUPACethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine
SMILESC.CC.CC1=CCC(OCCN2CCCCC2)C=C1
InChIInChI=1S/C14H23NO.C2H6.CH4/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-2;/h5-7,14H,2-4,8-12H2,1H3;1-2H3;1H4
InChIKeyORMYTNKZIZJSKW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.43
Rot. Bonds4

About ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine

ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine (PubChem CID 143178162) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Nameethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine
PubChem CID143178162
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Nameethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine
SMILESC.CC.CC1=CCC(OCCN2CCCCC2)C=C1
InChIInChI=1S/C14H23NO.C2H6.CH4/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-2;/h5-7,14H,2-4,8-12H2,1H3;1-2H3;1H4
InChIKeyORMYTNKZIZJSKW-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]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 ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine (CID 143178162) is ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine is C.CC.CC1=CCC(OCCN2CCCCC2)C=C1.
What is the InChIKey of ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine?
The InChIKey is ORMYTNKZIZJSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C2H6.CH4/c1-13-5-7-14(8-6-13)16-12-11-15-9-3-2-4-10-15;1-2;/h5-7,14H,2-4,8-12H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine?
ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine has a molecular weight of 267.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 143178162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).