(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine

C10H22NO3P — CID 11402086

IUPAC(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C10H22NO3P/c1-4-13-15(12,14-5-2)10-8-6-7-9(3)11-10/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyIUIAHWQJKLSWQG-VHSXEESVSA-N
MW235.26 g/mol
LogP2.74
Rot. Bonds5

About (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine

(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine (PubChem CID 11402086) has the molecular formula C10H22NO3P and a molecular weight of 235.26 g/mol. Its IUPAC name is (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine.

Molecular Properties

Compound Name(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
PubChem CID11402086
Molecular FormulaC10H22NO3P
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Name(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C10H22NO3P/c1-4-13-15(12,14-5-2)10-8-6-7-9(3)11-10/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyIUIAHWQJKLSWQG-VHSXEESVSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.74
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,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
3-diethoxyphosphoryl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 132581637
CID 101403900
CID 101403900
1-diethoxyphosphoryl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 11413916
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
(3R,3aS,6aR)-3-diethoxyphosphoryl-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazole
CID 101429409
CID 134963868
CID 134963868
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)
CID 54607432
cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)
CID 54598606
4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
CID 10491916

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine?
The IUPAC name of (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine (CID 11402086) is (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine.
What is the SMILES notation for (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine?
The canonical SMILES for (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine is CCOP(=O)(OCC)[C@@H]1CCC[C@H](C)N1.
What is the InChIKey of (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine?
The InChIKey is IUIAHWQJKLSWQG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22NO3P/c1-4-13-15(12,14-5-2)10-8-6-7-9(3)11-10/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine?
(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine has a molecular weight of 235.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine is sourced from PubChem (CID 11402086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).