4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine

C16H24N2O — CID 117405627

IUPAC4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCN1CC(Oc2ccc(CC3CCNCC3)cc2)C1
InChIInChI=1S/C16H24N2O/c1-18-11-16(12-18)19-15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,14,16-17H,6-12H2,1H3
InChIKeyIZOOKQHWPIUFKD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds4

About 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine

4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine (PubChem CID 117405627) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
PubChem CID117405627
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCN1CC(Oc2ccc(CC3CCNCC3)cc2)C1
InChIInChI=1S/C16H24N2O/c1-18-11-16(12-18)19-15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,14,16-17H,6-12H2,1H3
InChIKeyIZOOKQHWPIUFKD-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine (CID 117405627) is 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine is CN1CC(Oc2ccc(CC3CCNCC3)cc2)C1.
What is the InChIKey of 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The InChIKey is IZOOKQHWPIUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-11-16(12-18)19-15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,14,16-17H,6-12H2,1H3.
What are the key properties of 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine has a molecular weight of 260.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine is sourced from PubChem (CID 117405627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).