(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine

C11H19NO — CID 169113536

IUPAC(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2=CCOCC2)NC1
InChIInChI=1S/C11H19NO/c1-9-2-3-11(12-8-9)10-4-6-13-7-5-10/h4,9,11-12H,2-3,5-8H2,1H3/t9-,11+/m0/s1
InChIKeyFJIVBHGBNCQWEV-GXSJLCMTSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds1

About (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine

(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine (PubChem CID 169113536) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine
PubChem CID169113536
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2=CCOCC2)NC1
InChIInChI=1S/C11H19NO/c1-9-2-3-11(12-8-9)10-4-6-13-7-5-10/h4,9,11-12H,2-3,5-8H2,1H3/t9-,11+/m0/s1
InChIKeyFJIVBHGBNCQWEV-GXSJLCMTSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine (CID 169113536) is (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine is C[C@H]1CC[C@H](C2=CCOCC2)NC1.
What is the InChIKey of (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine?
The InChIKey is FJIVBHGBNCQWEV-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-2-3-11(12-8-9)10-4-6-13-7-5-10/h4,9,11-12H,2-3,5-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine?
(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine is sourced from PubChem (CID 169113536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).