[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate

C16H25NO2 — CID 847499

IUPAC[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate
SMILESCC(=O)OC1(C#CCN2CCCCC2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-15(18)19-16(9-4-2-5-10-16)11-8-14-17-12-6-3-7-13-17/h2-7,9-10,12-14H2,1H3
InChIKeyFPVCCWHEAHLKQT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds2

About [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate

[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate (PubChem CID 847499) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate
PubChem CID847499
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate
SMILESCC(=O)OC1(C#CCN2CCCCC2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-15(18)19-16(9-4-2-5-10-16)11-8-14-17-12-6-3-7-13-17/h2-7,9-10,12-14H2,1H3
InChIKeyFPVCCWHEAHLKQT-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate?
The IUPAC name of [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate (CID 847499) is [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate.
What is the SMILES notation for [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate?
The canonical SMILES for [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate is CC(=O)OC1(C#CCN2CCCCC2)CCCCC1.
What is the InChIKey of [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate?
The InChIKey is FPVCCWHEAHLKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(18)19-16(9-4-2-5-10-16)11-8-14-17-12-6-3-7-13-17/h2-7,9-10,12-14H2,1H3.
What are the key properties of [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate?
[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate has a molecular weight of 263.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate is sourced from PubChem (CID 847499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).