1-[methoxy(phenyl)methyl]piperidine

C13H19NO — CID 135035543

IUPAC1-[methoxy(phenyl)methyl]piperidine
SMILESCOC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H19NO/c1-15-13(12-8-4-2-5-9-12)14-10-6-3-7-11-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyKLZSBMXDASORMU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.82
Rot. Bonds3

About 1-[methoxy(phenyl)methyl]piperidine

1-[methoxy(phenyl)methyl]piperidine (PubChem CID 135035543) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[methoxy(phenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[methoxy(phenyl)methyl]piperidine
PubChem CID135035543
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[methoxy(phenyl)methyl]piperidine
SMILESCOC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H19NO/c1-15-13(12-8-4-2-5-9-12)14-10-6-3-7-11-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyKLZSBMXDASORMU-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenyl)methyl]piperidine?
The IUPAC name of 1-[methoxy(phenyl)methyl]piperidine (CID 135035543) is 1-[methoxy(phenyl)methyl]piperidine.
What is the SMILES notation for 1-[methoxy(phenyl)methyl]piperidine?
The canonical SMILES for 1-[methoxy(phenyl)methyl]piperidine is COC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[methoxy(phenyl)methyl]piperidine?
The InChIKey is KLZSBMXDASORMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13(12-8-4-2-5-9-12)14-10-6-3-7-11-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of 1-[methoxy(phenyl)methyl]piperidine?
1-[methoxy(phenyl)methyl]piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenyl)methyl]piperidine is sourced from PubChem (CID 135035543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).