(1-ethylpiperidin-2-yl) methyl hydrogen phosphate

C8H18NO4P — CID 59642110

IUPAC(1-ethylpiperidin-2-yl) methyl hydrogen phosphate
SMILESCCN1CCCCC1OP(=O)(O)OC
InChIInChI=1S/C8H18NO4P/c1-3-9-7-5-4-6-8(9)13-14(10,11)12-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyHZUPUXAMFYFPAF-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.58
Rot. Bonds4

About (1-ethylpiperidin-2-yl) methyl hydrogen phosphate

(1-ethylpiperidin-2-yl) methyl hydrogen phosphate (PubChem CID 59642110) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is (1-ethylpiperidin-2-yl) methyl hydrogen phosphate.

Molecular Properties

Compound Name(1-ethylpiperidin-2-yl) methyl hydrogen phosphate
PubChem CID59642110
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(1-ethylpiperidin-2-yl) methyl hydrogen phosphate
SMILESCCN1CCCCC1OP(=O)(O)OC
InChIInChI=1S/C8H18NO4P/c1-3-9-7-5-4-6-8(9)13-14(10,11)12-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyHZUPUXAMFYFPAF-UHFFFAOYSA-N
XLogP1.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-2-yl) methyl hydrogen phosphate?
The IUPAC name of (1-ethylpiperidin-2-yl) methyl hydrogen phosphate (CID 59642110) is (1-ethylpiperidin-2-yl) methyl hydrogen phosphate.
What is the SMILES notation for (1-ethylpiperidin-2-yl) methyl hydrogen phosphate?
The canonical SMILES for (1-ethylpiperidin-2-yl) methyl hydrogen phosphate is CCN1CCCCC1OP(=O)(O)OC.
What is the InChIKey of (1-ethylpiperidin-2-yl) methyl hydrogen phosphate?
The InChIKey is HZUPUXAMFYFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-3-9-7-5-4-6-8(9)13-14(10,11)12-2/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of (1-ethylpiperidin-2-yl) methyl hydrogen phosphate?
(1-ethylpiperidin-2-yl) methyl hydrogen phosphate has a molecular weight of 223.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-2-yl) methyl hydrogen phosphate is sourced from PubChem (CID 59642110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).