1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine

C13H17NO — CID 140988920

IUPAC1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(COCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8H,6,9-12H2
InChIKeySNSWSPVZVWDSJR-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.42
Rot. Bonds4

About 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine

1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 140988920) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID140988920
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(COCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8H,6,9-12H2
InChIKeySNSWSPVZVWDSJR-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402
1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one
CID 86032168
[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
CID 123481492
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
benzyl 3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 143937845
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
2-[1-(phenylmethoxymethyl)-2,5-dihydropyrrol-3-yl]propan-2-ol
CID 141180264
CID 66734377
CID 66734377
1-benzyl-3,6-dihydro-2H-pyridine;tris(3-benzyl-7-oxa-3-azabicyclo[4.1.0]heptane)
CID 162168565
ethane;phenylmethoxymethylbenzene
CID 90943549
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
9-(phenylmethoxymethyl)carbazole
CID 2227531

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine (CID 140988920) is 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine is C1=CCN(COCc2ccccc2)CC1.
What is the InChIKey of 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SNSWSPVZVWDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8H,6,9-12H2.
What are the key properties of 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 203.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 140988920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).