1-(oxetan-3-ylmethyl)piperidine

C9H17NO — CID 57169736

IUPAC1-(oxetan-3-ylmethyl)piperidine
SMILESC1CCN(CC2COC2)CC1
InChIInChI=1S/C9H17NO/c1-2-4-10(5-3-1)6-9-7-11-8-9/h9H,1-8H2
InChIKeyKCXBNFJOAKKLTH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(oxetan-3-ylmethyl)piperidine

1-(oxetan-3-ylmethyl)piperidine (PubChem CID 57169736) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(oxetan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(oxetan-3-ylmethyl)piperidine
PubChem CID57169736
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(oxetan-3-ylmethyl)piperidine
SMILESC1CCN(CC2COC2)CC1
InChIInChI=1S/C9H17NO/c1-2-4-10(5-3-1)6-9-7-11-8-9/h9H,1-8H2
InChIKeyKCXBNFJOAKKLTH-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylmethyl)piperidine?
The IUPAC name of 1-(oxetan-3-ylmethyl)piperidine (CID 57169736) is 1-(oxetan-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(oxetan-3-ylmethyl)piperidine?
The canonical SMILES for 1-(oxetan-3-ylmethyl)piperidine is C1CCN(CC2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-ylmethyl)piperidine?
The InChIKey is KCXBNFJOAKKLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-10(5-3-1)6-9-7-11-8-9/h9H,1-8H2.
What are the key properties of 1-(oxetan-3-ylmethyl)piperidine?
1-(oxetan-3-ylmethyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylmethyl)piperidine is sourced from PubChem (CID 57169736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).