4-(prop-2-ynoxymethyl)piperidine

C9H15NO — CID 26190978

IUPAC4-(prop-2-ynoxymethyl)piperidine
SMILESC#CCOCC1CCNCC1
InChIInChI=1S/C9H15NO/c1-2-7-11-8-9-3-5-10-6-4-9/h1,9-10H,3-8H2
InChIKeyHHQHFQSQJUKIHT-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.64
Rot. Bonds3

About 4-(prop-2-ynoxymethyl)piperidine

4-(prop-2-ynoxymethyl)piperidine (PubChem CID 26190978) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(prop-2-ynoxymethyl)piperidine.

Molecular Properties

Compound Name4-(prop-2-ynoxymethyl)piperidine
PubChem CID26190978
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(prop-2-ynoxymethyl)piperidine
SMILESC#CCOCC1CCNCC1
InChIInChI=1S/C9H15NO/c1-2-7-11-8-9-3-5-10-6-4-9/h1,9-10H,3-8H2
InChIKeyHHQHFQSQJUKIHT-UHFFFAOYSA-N
XLogP0.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.64
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-(prop-2-ynoxymethyl)piperidine?
The IUPAC name of 4-(prop-2-ynoxymethyl)piperidine (CID 26190978) is 4-(prop-2-ynoxymethyl)piperidine.
What is the SMILES notation for 4-(prop-2-ynoxymethyl)piperidine?
The canonical SMILES for 4-(prop-2-ynoxymethyl)piperidine is C#CCOCC1CCNCC1.
What is the InChIKey of 4-(prop-2-ynoxymethyl)piperidine?
The InChIKey is HHQHFQSQJUKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-7-11-8-9-3-5-10-6-4-9/h1,9-10H,3-8H2.
What are the key properties of 4-(prop-2-ynoxymethyl)piperidine?
4-(prop-2-ynoxymethyl)piperidine has a molecular weight of 153.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-ynoxymethyl)piperidine is sourced from PubChem (CID 26190978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).