2-(propan-2-yloxymethyl)piperidine

C9H19NO — CID 24708837

IUPAC2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCCCN1
InChIInChI=1S/C9H19NO/c1-8(2)11-7-9-5-3-4-6-10-9/h8-10H,3-7H2,1-2H3
InChIKeyQFJKETVFKAFLTL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds3

About 2-(propan-2-yloxymethyl)piperidine

2-(propan-2-yloxymethyl)piperidine (PubChem CID 24708837) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)piperidine
PubChem CID24708837
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CCCCN1
InChIInChI=1S/C9H19NO/c1-8(2)11-7-9-5-3-4-6-10-9/h8-10H,3-7H2,1-2H3
InChIKeyQFJKETVFKAFLTL-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 2-(propan-2-yloxymethyl)piperidine (CID 24708837) is 2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)piperidine is CC(C)OCC1CCCCN1.
What is the InChIKey of 2-(propan-2-yloxymethyl)piperidine?
The InChIKey is QFJKETVFKAFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)11-7-9-5-3-4-6-10-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)piperidine?
2-(propan-2-yloxymethyl)piperidine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 24708837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).