(1-methylpiperidin-2-yl)methyl dihydrogen phosphate

C7H16NO4P — CID 71057563

IUPAC(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
SMILESCN1CCCCC1COP(=O)(O)O
InChIInChI=1S/C7H16NO4P/c1-8-5-3-2-4-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyMYTFSMWMUOYSHF-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.58
Rot. Bonds3

About (1-methylpiperidin-2-yl)methyl dihydrogen phosphate

(1-methylpiperidin-2-yl)methyl dihydrogen phosphate (PubChem CID 71057563) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
PubChem CID71057563
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
SMILESCN1CCCCC1COP(=O)(O)O
InChIInChI=1S/C7H16NO4P/c1-8-5-3-2-4-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyMYTFSMWMUOYSHF-UHFFFAOYSA-N
XLogP0.58
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
[(2S)-1-aminopyrrolidin-2-yl]methyl dihydrogen phosphate
CID 142914002
(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine
CID 170053124
(1-methylpiperazin-2-yl)methyl dihydrogen phosphate
CID 68639832
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
[(2S)-1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 71122648
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl dihydrogen phosphate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl dihydrogen phosphate (CID 71057563) is (1-methylpiperidin-2-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl dihydrogen phosphate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl dihydrogen phosphate is CN1CCCCC1COP(=O)(O)O.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl dihydrogen phosphate?
The InChIKey is MYTFSMWMUOYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-8-5-3-2-4-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of (1-methylpiperidin-2-yl)methyl dihydrogen phosphate?
(1-methylpiperidin-2-yl)methyl dihydrogen phosphate has a molecular weight of 209.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 71057563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).