ethyl 4-prop-2-ynylpiperidine-1-carboxylate

C11H17NO2 — CID 58860536

IUPACethyl 4-prop-2-ynylpiperidine-1-carboxylate
SMILESC#CCC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h1,10H,4-9H2,2H3
InChIKeyUXOZIKXHTYNEFJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds2

About ethyl 4-prop-2-ynylpiperidine-1-carboxylate

ethyl 4-prop-2-ynylpiperidine-1-carboxylate (PubChem CID 58860536) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 4-prop-2-ynylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-ynylpiperidine-1-carboxylate
PubChem CID58860536
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 4-prop-2-ynylpiperidine-1-carboxylate
SMILESC#CCC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h1,10H,4-9H2,2H3
InChIKeyUXOZIKXHTYNEFJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-ynylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-prop-2-ynylpiperidine-1-carboxylate (CID 58860536) is ethyl 4-prop-2-ynylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-ynylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-prop-2-ynylpiperidine-1-carboxylate is C#CCC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-prop-2-ynylpiperidine-1-carboxylate?
The InChIKey is UXOZIKXHTYNEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h1,10H,4-9H2,2H3.
What are the key properties of ethyl 4-prop-2-ynylpiperidine-1-carboxylate?
ethyl 4-prop-2-ynylpiperidine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-ynylpiperidine-1-carboxylate is sourced from PubChem (CID 58860536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).