ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine

C16H35NO2 — CID 167480548

IUPACethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
SMILESCC.CC(C)CCOCCOCCC1CCNCC1
InChIInChI=1S/C14H29NO2.C2H6/c1-13(2)5-9-16-11-12-17-10-6-14-3-7-15-8-4-14;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyLCYOEYCNTGRCMM-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.48
Rot. Bonds9

About ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine

ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine (PubChem CID 167480548) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Nameethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
PubChem CID167480548
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
SMILESCC.CC(C)CCOCCOCCC1CCNCC1
InChIInChI=1S/C14H29NO2.C2H6/c1-13(2)5-9-16-11-12-17-10-6-14-3-7-15-8-4-14;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyLCYOEYCNTGRCMM-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine?
The IUPAC name of ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine (CID 167480548) is ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine is CC.CC(C)CCOCCOCCC1CCNCC1.
What is the InChIKey of ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine?
The InChIKey is LCYOEYCNTGRCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C2H6/c1-13(2)5-9-16-11-12-17-10-6-14-3-7-15-8-4-14;1-2/h13-15H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine?
ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 167480548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).