4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine

C14H29NO2 — CID 157067481

IUPAC4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-5-11-16-12-10-15-8-6-13(7-9-15)17-14(2,3)4/h13H,5-12H2,1-4H3
InChIKeyUZANWGTZERIXRM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.69
Rot. Bonds6

About 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine

4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine (PubChem CID 157067481) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine
PubChem CID157067481
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-5-11-16-12-10-15-8-6-13(7-9-15)17-14(2,3)4/h13H,5-12H2,1-4H3
InChIKeyUZANWGTZERIXRM-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine (CID 157067481) is 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine is CCCOCCN1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine?
The InChIKey is UZANWGTZERIXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-11-16-12-10-15-8-6-13(7-9-15)17-14(2,3)4/h13H,5-12H2,1-4H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine?
4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine has a molecular weight of 243.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine is sourced from PubChem (CID 157067481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).