1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine

C16H33NO2 — CID 130196443

IUPAC1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine
SMILESCCOC(C)(C)C(CN1CCCCC1)OC(C)(C)C
InChIInChI=1S/C16H33NO2/c1-7-18-16(5,6)14(19-15(2,3)4)13-17-11-9-8-10-12-17/h14H,7-13H2,1-6H3
InChIKeyNVZLZBUVFLVXRC-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine

1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine (PubChem CID 130196443) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine.

Molecular Properties

Compound Name1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine
PubChem CID130196443
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine
SMILESCCOC(C)(C)C(CN1CCCCC1)OC(C)(C)C
InChIInChI=1S/C16H33NO2/c1-7-18-16(5,6)14(19-15(2,3)4)13-17-11-9-8-10-12-17/h14H,7-13H2,1-6H3
InChIKeyNVZLZBUVFLVXRC-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]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 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine?
The IUPAC name of 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine (CID 130196443) is 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine.
What is the SMILES notation for 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine?
The canonical SMILES for 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine is CCOC(C)(C)C(CN1CCCCC1)OC(C)(C)C.
What is the InChIKey of 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine?
The InChIKey is NVZLZBUVFLVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-18-16(5,6)14(19-15(2,3)4)13-17-11-9-8-10-12-17/h14H,7-13H2,1-6H3.
What are the key properties of 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine?
1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine has a molecular weight of 271.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine is sourced from PubChem (CID 130196443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).