4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol

C15H29NO2 — CID 142245490

IUPAC4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol
SMILESC=CO/C=C\C(C)C1CCNCC1.CC(C)CO
InChIInChI=1S/C11H19NO.C4H10O/c1-3-13-9-6-10(2)11-4-7-12-8-5-11;1-4(2)3-5/h3,6,9-12H,1,4-5,7-8H2,2H3;4-5H,3H2,1-2H3/b9-6-;
InChIKeyYRPJFYRNISCZOD-BORNJIKYSA-N
MW255.40 g/mol
LogP2.93
Rot. Bonds5

About 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol

4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol (PubChem CID 142245490) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol.

Molecular Properties

Compound Name4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol
PubChem CID142245490
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol
SMILESC=CO/C=C\C(C)C1CCNCC1.CC(C)CO
InChIInChI=1S/C11H19NO.C4H10O/c1-3-13-9-6-10(2)11-4-7-12-8-5-11;1-4(2)3-5/h3,6,9-12H,1,4-5,7-8H2,2H3;4-5H,3H2,1-2H3/b9-6-;
InChIKeyYRPJFYRNISCZOD-BORNJIKYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol?
The IUPAC name of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol (CID 142245490) is 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol.
What is the SMILES notation for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol?
The canonical SMILES for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol is C=CO/C=C\C(C)C1CCNCC1.CC(C)CO.
What is the InChIKey of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol?
The InChIKey is YRPJFYRNISCZOD-BORNJIKYSA-N. The full InChI is InChI=1S/C11H19NO.C4H10O/c1-3-13-9-6-10(2)11-4-7-12-8-5-11;1-4(2)3-5/h3,6,9-12H,1,4-5,7-8H2,2H3;4-5H,3H2,1-2H3/b9-6-;.
What are the key properties of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol?
4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine;2-methylpropan-1-ol is sourced from PubChem (CID 142245490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).