3-[2-(cyclobutylmethoxy)ethyl]piperidine

C12H23NO — CID 56830620

IUPAC3-[2-(cyclobutylmethoxy)ethyl]piperidine
SMILESC1CNCC(CCOCC2CCC2)C1
InChIInChI=1S/C12H23NO/c1-3-12(4-1)10-14-8-6-11-5-2-7-13-9-11/h11-13H,1-10H2
InChIKeyIIVMJGLCKVKIMY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 3-[2-(cyclobutylmethoxy)ethyl]piperidine

3-[2-(cyclobutylmethoxy)ethyl]piperidine (PubChem CID 56830620) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[2-(cyclobutylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(cyclobutylmethoxy)ethyl]piperidine
PubChem CID56830620
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[2-(cyclobutylmethoxy)ethyl]piperidine
SMILESC1CNCC(CCOCC2CCC2)C1
InChIInChI=1S/C12H23NO/c1-3-12(4-1)10-14-8-6-11-5-2-7-13-9-11/h11-13H,1-10H2
InChIKeyIIVMJGLCKVKIMY-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(cyclobutylmethoxy)ethyl]piperidine 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

2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
CID 62356668

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylmethoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(cyclobutylmethoxy)ethyl]piperidine (CID 56830620) is 3-[2-(cyclobutylmethoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(cyclobutylmethoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(cyclobutylmethoxy)ethyl]piperidine is C1CNCC(CCOCC2CCC2)C1.
What is the InChIKey of 3-[2-(cyclobutylmethoxy)ethyl]piperidine?
The InChIKey is IIVMJGLCKVKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(4-1)10-14-8-6-11-5-2-7-13-9-11/h11-13H,1-10H2.
What are the key properties of 3-[2-(cyclobutylmethoxy)ethyl]piperidine?
3-[2-(cyclobutylmethoxy)ethyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylmethoxy)ethyl]piperidine is sourced from PubChem (CID 56830620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).