3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane

C16H35NO — CID 143202530

IUPAC3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane
SMILESC/C=C/CN1CCCC(CCCO)C1.CC.CC
InChIInChI=1S/C12H23NO.2C2H6/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14;2*1-2/h2-3,12,14H,4-11H2,1H3;2*1-2H3/b3-2+;;
InChIKeyZIYGCJPSOUTGML-WTVBWJGASA-N
MW257.46 g/mol
LogP4.10
Rot. Bonds5

About 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane

3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane (PubChem CID 143202530) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane.

Molecular Properties

Compound Name3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane
PubChem CID143202530
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane
SMILESC/C=C/CN1CCCC(CCCO)C1.CC.CC
InChIInChI=1S/C12H23NO.2C2H6/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14;2*1-2/h2-3,12,14H,4-11H2,1H3;2*1-2H3/b3-2+;;
InChIKeyZIYGCJPSOUTGML-WTVBWJGASA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
CID 10182900
2-(3-Ethenyl-1-heptylpiperidin-4-yl)ethanol
CID 17900681
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 56990867
2-[1-(3-Tributylstannylprop-2-enyl)piperidin-4-yl]ethanol
CID 69663845
2-(2-Ethyl-1-hept-3-enylpiperidin-4-yl)ethanol
CID 70282112
2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
CID 142215769
Ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine
CID 143202488
3-(3-Methoxypropyl)-1-prop-2-enylpiperidine
CID 143202489
1,5-Bis(1-methyl-1-prop-2-enylpiperidin-1-ium-3-yl)pentan-3-ol
CID 171628749
2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 11288253
2-(1-Prop-2-enylpiperidin-3-yl)ethanol
CID 62356814

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane?
The IUPAC name of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane (CID 143202530) is 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane.
What is the SMILES notation for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane?
The canonical SMILES for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane is C/C=C/CN1CCCC(CCCO)C1.CC.CC.
What is the InChIKey of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane?
The InChIKey is ZIYGCJPSOUTGML-WTVBWJGASA-N. The full InChI is InChI=1S/C12H23NO.2C2H6/c1-2-3-8-13-9-4-6-12(11-13)7-5-10-14;2*1-2/h2-3,12,14H,4-11H2,1H3;2*1-2H3/b3-2+;;.
What are the key properties of 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane?
3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane has a molecular weight of 257.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane is sourced from PubChem (CID 143202530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).