4-(oxetan-3-ylmethyl)piperidine

C9H17NO — CID 83905161

IUPAC4-(oxetan-3-ylmethyl)piperidine
SMILESC1CC(CC2COC2)CCN1
InChIInChI=1S/C9H17NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h8-10H,1-7H2
InChIKeyRCVDKOWYBCILKF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About 4-(oxetan-3-ylmethyl)piperidine

4-(oxetan-3-ylmethyl)piperidine (PubChem CID 83905161) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(oxetan-3-ylmethyl)piperidine
PubChem CID83905161
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(oxetan-3-ylmethyl)piperidine
SMILESC1CC(CC2COC2)CCN1
InChIInChI=1S/C9H17NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h8-10H,1-7H2
InChIKeyRCVDKOWYBCILKF-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethyl)piperidine?
The IUPAC name of 4-(oxetan-3-ylmethyl)piperidine (CID 83905161) is 4-(oxetan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(oxetan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(oxetan-3-ylmethyl)piperidine is C1CC(CC2COC2)CCN1.
What is the InChIKey of 4-(oxetan-3-ylmethyl)piperidine?
The InChIKey is RCVDKOWYBCILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-4-2-8(1)5-9-6-11-7-9/h8-10H,1-7H2.
What are the key properties of 4-(oxetan-3-ylmethyl)piperidine?
4-(oxetan-3-ylmethyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethyl)piperidine is sourced from PubChem (CID 83905161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).