4-methoxy-4-(2-methylprop-2-enyl)piperidine

C10H19NO — CID 89141975

IUPAC4-methoxy-4-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)CC1(OC)CCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12-3)4-6-11-7-5-10/h11H,1,4-8H2,2-3H3
InChIKeyCHDUVLXCQPWNKP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About 4-methoxy-4-(2-methylprop-2-enyl)piperidine

4-methoxy-4-(2-methylprop-2-enyl)piperidine (PubChem CID 89141975) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methoxy-4-(2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name4-methoxy-4-(2-methylprop-2-enyl)piperidine
PubChem CID89141975
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methoxy-4-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)CC1(OC)CCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12-3)4-6-11-7-5-10/h11H,1,4-8H2,2-3H3
InChIKeyCHDUVLXCQPWNKP-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methoxy-4-(2-methylprop-2-enyl)piperidine?
The IUPAC name of 4-methoxy-4-(2-methylprop-2-enyl)piperidine (CID 89141975) is 4-methoxy-4-(2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 4-methoxy-4-(2-methylprop-2-enyl)piperidine?
The canonical SMILES for 4-methoxy-4-(2-methylprop-2-enyl)piperidine is C=C(C)CC1(OC)CCNCC1.
What is the InChIKey of 4-methoxy-4-(2-methylprop-2-enyl)piperidine?
The InChIKey is CHDUVLXCQPWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)8-10(12-3)4-6-11-7-5-10/h11H,1,4-8H2,2-3H3.
What are the key properties of 4-methoxy-4-(2-methylprop-2-enyl)piperidine?
4-methoxy-4-(2-methylprop-2-enyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 89141975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).