diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate

C16H27N2O4P — CID 7069814

IUPACdiethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
SMILESCCOP(=O)(OCC)OCCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C16H27N2O4P/c1-3-20-23(19,21-4-2)22-13-12-18-11-6-5-9-16(18)15-8-7-10-17-14-15/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyRPYOYJSKUKGJFB-MRXNPFEDSA-N
MW342.38 g/mol
LogP3.81
Rot. Bonds9

About diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate

diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate (PubChem CID 7069814) has the molecular formula C16H27N2O4P and a molecular weight of 342.38 g/mol. Its IUPAC name is diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate.

Molecular Properties

Compound Namediethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
PubChem CID7069814
Molecular FormulaC16H27N2O4P
Molecular Weight342.38 g/mol
Exact Mass342.17
IUPAC Namediethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
SMILESCCOP(=O)(OCC)OCCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C16H27N2O4P/c1-3-20-23(19,21-4-2)22-13-12-18-11-6-5-9-16(18)15-8-7-10-17-14-15/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyRPYOYJSKUKGJFB-MRXNPFEDSA-N
XLogP3.81
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid
CID 44668223
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate?
The IUPAC name of diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate (CID 7069814) is diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate.
What is the SMILES notation for diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate?
The canonical SMILES for diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate is CCOP(=O)(OCC)OCCN1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate?
The InChIKey is RPYOYJSKUKGJFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N2O4P/c1-3-20-23(19,21-4-2)22-13-12-18-11-6-5-9-16(18)15-8-7-10-17-14-15/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate?
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate has a molecular weight of 342.38 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate is sourced from PubChem (CID 7069814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).