4-(butoxymethyl)-1-propan-2-ylpiperidine

C13H27NO — CID 176984206

IUPAC4-(butoxymethyl)-1-propan-2-ylpiperidine
SMILESCCCCOCC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27NO/c1-4-5-10-15-11-13-6-8-14(9-7-13)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyUZOFODXTGVFIRI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds6

About 4-(butoxymethyl)-1-propan-2-ylpiperidine

4-(butoxymethyl)-1-propan-2-ylpiperidine (PubChem CID 176984206) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(butoxymethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(butoxymethyl)-1-propan-2-ylpiperidine
PubChem CID176984206
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(butoxymethyl)-1-propan-2-ylpiperidine
SMILESCCCCOCC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27NO/c1-4-5-10-15-11-13-6-8-14(9-7-13)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyUZOFODXTGVFIRI-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(butoxymethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(butoxymethyl)-1-propan-2-ylpiperidine (CID 176984206) is 4-(butoxymethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(butoxymethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(butoxymethyl)-1-propan-2-ylpiperidine is CCCCOCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(butoxymethyl)-1-propan-2-ylpiperidine?
The InChIKey is UZOFODXTGVFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-10-15-11-13-6-8-14(9-7-13)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(butoxymethyl)-1-propan-2-ylpiperidine?
4-(butoxymethyl)-1-propan-2-ylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176984206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).