pent-2-ynyl piperidine-1-carboxylate

C11H17NO2 — CID 154356710

IUPACpent-2-ynyl piperidine-1-carboxylate
SMILESCCC#CCOC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,4-6,8-10H2,1H3
InChIKeyKSKYJDCXNPHARL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.02
Rot. Bonds1

About pent-2-ynyl piperidine-1-carboxylate

pent-2-ynyl piperidine-1-carboxylate (PubChem CID 154356710) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is pent-2-ynyl piperidine-1-carboxylate.

Molecular Properties

Compound Namepent-2-ynyl piperidine-1-carboxylate
PubChem CID154356710
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namepent-2-ynyl piperidine-1-carboxylate
SMILESCCC#CCOC(=O)N1CCCCC1
InChIInChI=1S/C11H17NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,4-6,8-10H2,1H3
InChIKeyKSKYJDCXNPHARL-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.02
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 pent-2-ynyl piperidine-1-carboxylate?
The IUPAC name of pent-2-ynyl piperidine-1-carboxylate (CID 154356710) is pent-2-ynyl piperidine-1-carboxylate.
What is the SMILES notation for pent-2-ynyl piperidine-1-carboxylate?
The canonical SMILES for pent-2-ynyl piperidine-1-carboxylate is CCC#CCOC(=O)N1CCCCC1.
What is the InChIKey of pent-2-ynyl piperidine-1-carboxylate?
The InChIKey is KSKYJDCXNPHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-7-10-14-11(13)12-8-5-4-6-9-12/h2,4-6,8-10H2,1H3.
What are the key properties of pent-2-ynyl piperidine-1-carboxylate?
pent-2-ynyl piperidine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ynyl piperidine-1-carboxylate is sourced from PubChem (CID 154356710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).