4-ethyl-4-methoxy-1-prop-2-enylpiperidine

C11H21NO — CID 170013089

IUPAC4-ethyl-4-methoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(CC)(OC)CC1
InChIInChI=1S/C11H21NO/c1-4-8-12-9-6-11(5-2,13-3)7-10-12/h4H,1,5-10H2,2-3H3
InChIKeyXZBDPTPVOPQHNS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds4

About 4-ethyl-4-methoxy-1-prop-2-enylpiperidine

4-ethyl-4-methoxy-1-prop-2-enylpiperidine (PubChem CID 170013089) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-ethyl-4-methoxy-1-prop-2-enylpiperidine
PubChem CID170013089
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-ethyl-4-methoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(CC)(OC)CC1
InChIInChI=1S/C11H21NO/c1-4-8-12-9-6-11(5-2,13-3)7-10-12/h4H,1,5-10H2,2-3H3
InChIKeyXZBDPTPVOPQHNS-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
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-ethyl-4-methoxy-1-prop-2-enylpiperidine?
The IUPAC name of 4-ethyl-4-methoxy-1-prop-2-enylpiperidine (CID 170013089) is 4-ethyl-4-methoxy-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-ethyl-4-methoxy-1-prop-2-enylpiperidine?
The canonical SMILES for 4-ethyl-4-methoxy-1-prop-2-enylpiperidine is C=CCN1CCC(CC)(OC)CC1.
What is the InChIKey of 4-ethyl-4-methoxy-1-prop-2-enylpiperidine?
The InChIKey is XZBDPTPVOPQHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-8-12-9-6-11(5-2,13-3)7-10-12/h4H,1,5-10H2,2-3H3.
What are the key properties of 4-ethyl-4-methoxy-1-prop-2-enylpiperidine?
4-ethyl-4-methoxy-1-prop-2-enylpiperidine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methoxy-1-prop-2-enylpiperidine is sourced from PubChem (CID 170013089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).