prop-2-ynoxymethyl piperidine-1-carboxylate

C10H15NO3 — CID 163404527

IUPACprop-2-ynoxymethyl piperidine-1-carboxylate
SMILESC#CCOCOC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c1-2-8-13-9-14-10(12)11-6-4-3-5-7-11/h1H,3-9H2
InChIKeyKQXCIDVTFWXIGG-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.22
Rot. Bonds3

About prop-2-ynoxymethyl piperidine-1-carboxylate

prop-2-ynoxymethyl piperidine-1-carboxylate (PubChem CID 163404527) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is prop-2-ynoxymethyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-ynoxymethyl piperidine-1-carboxylate
PubChem CID163404527
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameprop-2-ynoxymethyl piperidine-1-carboxylate
SMILESC#CCOCOC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c1-2-8-13-9-14-10(12)11-6-4-3-5-7-11/h1H,3-9H2
InChIKeyKQXCIDVTFWXIGG-UHFFFAOYSA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynoxymethyl piperidine-1-carboxylate?
The IUPAC name of prop-2-ynoxymethyl piperidine-1-carboxylate (CID 163404527) is prop-2-ynoxymethyl piperidine-1-carboxylate.
What is the SMILES notation for prop-2-ynoxymethyl piperidine-1-carboxylate?
The canonical SMILES for prop-2-ynoxymethyl piperidine-1-carboxylate is C#CCOCOC(=O)N1CCCCC1.
What is the InChIKey of prop-2-ynoxymethyl piperidine-1-carboxylate?
The InChIKey is KQXCIDVTFWXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-8-13-9-14-10(12)11-6-4-3-5-7-11/h1H,3-9H2.
What are the key properties of prop-2-ynoxymethyl piperidine-1-carboxylate?
prop-2-ynoxymethyl piperidine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynoxymethyl piperidine-1-carboxylate is sourced from PubChem (CID 163404527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).