2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol

C14H16N2O2 — CID 144706704

IUPAC2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol
SMILESO=Nc1ccc(C#CCN2CCCCC2)cc1O
InChIInChI=1S/C14H16N2O2/c17-14-11-12(6-7-13(14)15-18)5-4-10-16-8-2-1-3-9-16/h6-7,11,17H,1-3,8-10H2
InChIKeyHEOJISZTDRECTR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.63
Rot. Bonds2

About 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol

2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol (PubChem CID 144706704) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol.

Molecular Properties

Compound Name2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol
PubChem CID144706704
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol
SMILESO=Nc1ccc(C#CCN2CCCCC2)cc1O
InChIInChI=1S/C14H16N2O2/c17-14-11-12(6-7-13(14)15-18)5-4-10-16-8-2-1-3-9-16/h6-7,11,17H,1-3,8-10H2
InChIKeyHEOJISZTDRECTR-UHFFFAOYSA-N
XLogP2.63
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol?
The IUPAC name of 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol (CID 144706704) is 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol.
What is the SMILES notation for 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol?
The canonical SMILES for 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol is O=Nc1ccc(C#CCN2CCCCC2)cc1O.
What is the InChIKey of 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol?
The InChIKey is HEOJISZTDRECTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-11-12(6-7-13(14)15-18)5-4-10-16-8-2-1-3-9-16/h6-7,11,17H,1-3,8-10H2.
What are the key properties of 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol?
2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol has a molecular weight of 244.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-5-(3-piperidin-1-ylprop-1-ynyl)phenol is sourced from PubChem (CID 144706704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).