4-(but-2-ynoxymethyl)piperidine

C10H17NO — CID 62340239

IUPAC4-(but-2-ynoxymethyl)piperidine
SMILESCC#CCOCC1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-8-12-9-10-4-6-11-7-5-10/h10-11H,4-9H2,1H3
InChIKeyGJMSROXSYJNJFN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.03
Rot. Bonds3

About 4-(but-2-ynoxymethyl)piperidine

4-(but-2-ynoxymethyl)piperidine (PubChem CID 62340239) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(but-2-ynoxymethyl)piperidine.

Molecular Properties

Compound Name4-(but-2-ynoxymethyl)piperidine
PubChem CID62340239
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(but-2-ynoxymethyl)piperidine
SMILESCC#CCOCC1CCNCC1
InChIInChI=1S/C10H17NO/c1-2-3-8-12-9-10-4-6-11-7-5-10/h10-11H,4-9H2,1H3
InChIKeyGJMSROXSYJNJFN-UHFFFAOYSA-N
XLogP1.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(but-2-ynoxymethyl)piperidine?
The IUPAC name of 4-(but-2-ynoxymethyl)piperidine (CID 62340239) is 4-(but-2-ynoxymethyl)piperidine.
What is the SMILES notation for 4-(but-2-ynoxymethyl)piperidine?
The canonical SMILES for 4-(but-2-ynoxymethyl)piperidine is CC#CCOCC1CCNCC1.
What is the InChIKey of 4-(but-2-ynoxymethyl)piperidine?
The InChIKey is GJMSROXSYJNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-8-12-9-10-4-6-11-7-5-10/h10-11H,4-9H2,1H3.
What are the key properties of 4-(but-2-ynoxymethyl)piperidine?
4-(but-2-ynoxymethyl)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-2-ynoxymethyl)piperidine is sourced from PubChem (CID 62340239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).