3-phenylmethoxy-1,2,3,6-tetrahydropyridine

C12H15NO — CID 101158564

IUPAC3-phenylmethoxy-1,2,3,6-tetrahydropyridine
SMILESC1=CC(OCc2ccccc2)CNC1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-7,12-13H,8-10H2
InChIKeyHHQQJPZOAZUFHB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.73
Rot. Bonds3

About 3-phenylmethoxy-1,2,3,6-tetrahydropyridine

3-phenylmethoxy-1,2,3,6-tetrahydropyridine (PubChem CID 101158564) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-phenylmethoxy-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-phenylmethoxy-1,2,3,6-tetrahydropyridine
PubChem CID101158564
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-phenylmethoxy-1,2,3,6-tetrahydropyridine
SMILESC1=CC(OCc2ccccc2)CNC1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-7,12-13H,8-10H2
InChIKeyHHQQJPZOAZUFHB-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5R)-3,4,5-tris(phenylmethoxy)-1,2,3,4,5,8-hexahydroazocine
CID 174039635
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
3-phenylmethoxycycloheptene
CID 12512694
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
3-(phenylmethoxymethoxy)azetidine
CID 106938173
(3S)-3-phenylmethoxyazetidin-2-one
CID 10773649
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
4-methyl-3-phenylmethoxypiperidine
CID 102954119

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-phenylmethoxy-1,2,3,6-tetrahydropyridine (CID 101158564) is 3-phenylmethoxy-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-phenylmethoxy-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-phenylmethoxy-1,2,3,6-tetrahydropyridine is C1=CC(OCc2ccccc2)CNC1.
What is the InChIKey of 3-phenylmethoxy-1,2,3,6-tetrahydropyridine?
The InChIKey is HHQQJPZOAZUFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-7,12-13H,8-10H2.
What are the key properties of 3-phenylmethoxy-1,2,3,6-tetrahydropyridine?
3-phenylmethoxy-1,2,3,6-tetrahydropyridine has a molecular weight of 189.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 101158564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).