2-[2-(2-methylidenebutoxy)ethyl]piperidine

C12H23NO — CID 66045503

IUPAC2-[2-(2-methylidenebutoxy)ethyl]piperidine
SMILESC=C(CC)COCCC1CCCCN1
InChIInChI=1S/C12H23NO/c1-3-11(2)10-14-9-7-12-6-4-5-8-13-12/h12-13H,2-10H2,1H3
InChIKeyHOTHJAGWYHZLKE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(2-methylidenebutoxy)ethyl]piperidine

2-[2-(2-methylidenebutoxy)ethyl]piperidine (PubChem CID 66045503) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[2-(2-methylidenebutoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-methylidenebutoxy)ethyl]piperidine
PubChem CID66045503
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[2-(2-methylidenebutoxy)ethyl]piperidine
SMILESC=C(CC)COCCC1CCCCN1
InChIInChI=1S/C12H23NO/c1-3-11(2)10-14-9-7-12-6-4-5-8-13-12/h12-13H,2-10H2,1H3
InChIKeyHOTHJAGWYHZLKE-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylidenebutoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-methylidenebutoxy)ethyl]piperidine (CID 66045503) is 2-[2-(2-methylidenebutoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-methylidenebutoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-methylidenebutoxy)ethyl]piperidine is C=C(CC)COCCC1CCCCN1.
What is the InChIKey of 2-[2-(2-methylidenebutoxy)ethyl]piperidine?
The InChIKey is HOTHJAGWYHZLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11(2)10-14-9-7-12-6-4-5-8-13-12/h12-13H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methylidenebutoxy)ethyl]piperidine?
2-[2-(2-methylidenebutoxy)ethyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylidenebutoxy)ethyl]piperidine is sourced from PubChem (CID 66045503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).