1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine

C11H17N3O — CID 89415426

IUPAC1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)Oc1ccn[nH]1
InChIInChI=1S/C11H17N3O/c1-10(15-11-5-6-12-13-11)9-14-7-3-2-4-8-14/h5-6H,1-4,7-9H2,(H,12,13)
InChIKeyJPXBSGRTXOVGIF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine

1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine (PubChem CID 89415426) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine
PubChem CID89415426
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)Oc1ccn[nH]1
InChIInChI=1S/C11H17N3O/c1-10(15-11-5-6-12-13-11)9-14-7-3-2-4-8-14/h5-6H,1-4,7-9H2,(H,12,13)
InChIKeyJPXBSGRTXOVGIF-UHFFFAOYSA-N
XLogP1.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine?
The IUPAC name of 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine (CID 89415426) is 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine is C=C(CN1CCCCC1)Oc1ccn[nH]1.
What is the InChIKey of 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine?
The InChIKey is JPXBSGRTXOVGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(15-11-5-6-12-13-11)9-14-7-3-2-4-8-14/h5-6H,1-4,7-9H2,(H,12,13).
What are the key properties of 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine?
1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine has a molecular weight of 207.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine is sourced from PubChem (CID 89415426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).