4-(2-methylidenebutoxy)piperidine

C10H19NO — CID 66045026

IUPAC4-(2-methylidenebutoxy)piperidine
SMILESC=C(CC)COC1CCNCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)8-12-10-4-6-11-7-5-10/h10-11H,2-8H2,1H3
InChIKeyJUJKVPGVXLMGHS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 4-(2-methylidenebutoxy)piperidine

4-(2-methylidenebutoxy)piperidine (PubChem CID 66045026) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-methylidenebutoxy)piperidine.

Molecular Properties

Compound Name4-(2-methylidenebutoxy)piperidine
PubChem CID66045026
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-methylidenebutoxy)piperidine
SMILESC=C(CC)COC1CCNCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)8-12-10-4-6-11-7-5-10/h10-11H,2-8H2,1H3
InChIKeyJUJKVPGVXLMGHS-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebutoxy)piperidine?
The IUPAC name of 4-(2-methylidenebutoxy)piperidine (CID 66045026) is 4-(2-methylidenebutoxy)piperidine.
What is the SMILES notation for 4-(2-methylidenebutoxy)piperidine?
The canonical SMILES for 4-(2-methylidenebutoxy)piperidine is C=C(CC)COC1CCNCC1.
What is the InChIKey of 4-(2-methylidenebutoxy)piperidine?
The InChIKey is JUJKVPGVXLMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)8-12-10-4-6-11-7-5-10/h10-11H,2-8H2,1H3.
What are the key properties of 4-(2-methylidenebutoxy)piperidine?
4-(2-methylidenebutoxy)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebutoxy)piperidine is sourced from PubChem (CID 66045026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).