3-[2-(3,3-dimethylbutoxy)ethyl]piperidine

C13H27NO — CID 62358357

IUPAC3-[2-(3,3-dimethylbutoxy)ethyl]piperidine
SMILESCC(C)(C)CCOCCC1CCCNC1
InChIInChI=1S/C13H27NO/c1-13(2,3)7-10-15-9-6-12-5-4-8-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyXYDHGWPFKBYSQH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine

3-[2-(3,3-dimethylbutoxy)ethyl]piperidine (PubChem CID 62358357) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3,3-dimethylbutoxy)ethyl]piperidine
PubChem CID62358357
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[2-(3,3-dimethylbutoxy)ethyl]piperidine
SMILESCC(C)(C)CCOCCC1CCCNC1
InChIInChI=1S/C13H27NO/c1-13(2,3)7-10-15-9-6-12-5-4-8-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyXYDHGWPFKBYSQH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine (CID 62358357) is 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine is CC(C)(C)CCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine?
The InChIKey is XYDHGWPFKBYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)7-10-15-9-6-12-5-4-8-14-11-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine?
3-[2-(3,3-dimethylbutoxy)ethyl]piperidine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylbutoxy)ethyl]piperidine is sourced from PubChem (CID 62358357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).