(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine

C15H24NO3P — CID 11335470

IUPAC(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](c2ccccc2)N1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-12-8-11-14(16-15)13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyCLRYYBASLKUMEY-HUUCEWRRSA-N
MW297.33 g/mol
LogP4.09
Rot. Bonds6

About (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine

(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine (PubChem CID 11335470) has the molecular formula C15H24NO3P and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine.

Molecular Properties

Compound Name(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
PubChem CID11335470
Molecular FormulaC15H24NO3P
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](c2ccccc2)N1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-12-8-11-14(16-15)13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyCLRYYBASLKUMEY-HUUCEWRRSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
CID 11402086
(2R,6S)-2-(ethylperoxymethyl)-6-phenylpiperidine
CID 45489899
1-[(2S,3S,5S)-5-diethoxyphosphoryl-2-phenylpyrrolidin-3-yl]ethanone
CID 139254814
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
(2R)-2-diethoxyphosphorylpyrrolidine
CID 10727017
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
(2R,3S,5R)-5-diethoxyphosphoryl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide
CID 132560805
[(1S,2S,3R)-2-diethoxyphosphoryl-3-(diethoxyphosphorylmethyl)cyclopentyl]benzene
CID 101053260
2-hexyl-6-phenylpiperidine
CID 102584089
5-diethoxyphosphoryl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 3848592
6-phenylpiperidine-2-carbothialdehyde
CID 174443959
2-diethoxyphosphoryl-1-phenylpyrrolidine
CID 134967267

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine?
The IUPAC name of (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine (CID 11335470) is (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine.
What is the SMILES notation for (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine?
The canonical SMILES for (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine is CCOP(=O)(OCC)[C@@H]1CCC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine?
The InChIKey is CLRYYBASLKUMEY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-12-8-11-14(16-15)13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine?
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine has a molecular weight of 297.33 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine is sourced from PubChem (CID 11335470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).