3-(2H-pyran-2-yl)piperidine

C10H15NO — CID 140987781

IUPAC3-(2H-pyran-2-yl)piperidine
SMILESC1=COC(C2CCCNC2)C=C1
InChIInChI=1S/C10H15NO/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,5,7,9-11H,3-4,6,8H2
InChIKeyIMCBMXMAXMNSBT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.45
Rot. Bonds1

About 3-(2H-pyran-2-yl)piperidine

3-(2H-pyran-2-yl)piperidine (PubChem CID 140987781) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2H-pyran-2-yl)piperidine.

Molecular Properties

Compound Name3-(2H-pyran-2-yl)piperidine
PubChem CID140987781
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(2H-pyran-2-yl)piperidine
SMILESC1=COC(C2CCCNC2)C=C1
InChIInChI=1S/C10H15NO/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,5,7,9-11H,3-4,6,8H2
InChIKeyIMCBMXMAXMNSBT-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-2-yl)piperidine?
The IUPAC name of 3-(2H-pyran-2-yl)piperidine (CID 140987781) is 3-(2H-pyran-2-yl)piperidine.
What is the SMILES notation for 3-(2H-pyran-2-yl)piperidine?
The canonical SMILES for 3-(2H-pyran-2-yl)piperidine is C1=COC(C2CCCNC2)C=C1.
What is the InChIKey of 3-(2H-pyran-2-yl)piperidine?
The InChIKey is IMCBMXMAXMNSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,5,7,9-11H,3-4,6,8H2.
What are the key properties of 3-(2H-pyran-2-yl)piperidine?
3-(2H-pyran-2-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-2-yl)piperidine is sourced from PubChem (CID 140987781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).