3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine

C13H27NO2 — CID 107385838

IUPAC3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
SMILESCC(C)CCOCCOC1(C)CCCNC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-13(3)6-4-7-14-11-13/h12,14H,4-11H2,1-3H3
InChIKeyPMYQQFOCPNONMH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine

3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine (PubChem CID 107385838) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine.

Molecular Properties

Compound Name3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
PubChem CID107385838
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
SMILESCC(C)CCOCCOC1(C)CCCNC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-13(3)6-4-7-14-11-13/h12,14H,4-11H2,1-3H3
InChIKeyPMYQQFOCPNONMH-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-3-[2-(3-methylbutoxy)ethoxy]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-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
CID 107385578
3-(2-ethylsulfanylethoxy)-3-methylpiperidine
CID 107385607
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64844424
3-but-2-ynoxy-3-methylpiperidine
CID 107385814
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
N-cyclopropyl-3-(3-methylpiperidin-3-yl)oxypropanamide
CID 107385799
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237
ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
CID 167480548
3-[2-(3-methylpiperidin-3-yl)oxyethyl]pyridine
CID 107385730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine?
The IUPAC name of 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine (CID 107385838) is 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine.
What is the SMILES notation for 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine?
The canonical SMILES for 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine is CC(C)CCOCCOC1(C)CCCNC1.
What is the InChIKey of 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine?
The InChIKey is PMYQQFOCPNONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-13(3)6-4-7-14-11-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine?
3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine is sourced from PubChem (CID 107385838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).