[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate

C15H19NO2 — CID 72745116

IUPAC[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C15H19NO2/c1-13(17)18-12-15(14-8-4-2-5-9-14)16-10-6-3-7-11-16/h2-6,8-9,15H,7,10-12H2,1H3
InChIKeyKSNRJOVJKRCYDB-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.55
Rot. Bonds4

About [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate

[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate (PubChem CID 72745116) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
PubChem CID72745116
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C15H19NO2/c1-13(17)18-12-15(14-8-4-2-5-9-14)16-10-6-3-7-11-16/h2-6,8-9,15H,7,10-12H2,1H3
InChIKeyKSNRJOVJKRCYDB-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dioxopyrrol-1-yl)-2-phenylethyl] acetate
CID 19962428
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 15468712
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
[(2S)-2-phenylpropyl] acetate
CID 10261650
(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
CID 86127745
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
CID 115977081
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
[1-[iodo(phenyl)methyl]azetidin-3-yl]methyl acetate
CID 70494182
2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
CID 24844455
(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
CID 24845460
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910

Frequently Asked Questions

What is the IUPAC name of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate?
The IUPAC name of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate (CID 72745116) is [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate.
What is the SMILES notation for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate?
The canonical SMILES for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate is CC(=O)OCC(c1ccccc1)N1CC=CCC1.
What is the InChIKey of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate?
The InChIKey is KSNRJOVJKRCYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-13(17)18-12-15(14-8-4-2-5-9-14)16-10-6-3-7-11-16/h2-6,8-9,15H,7,10-12H2,1H3.
What are the key properties of [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate?
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate has a molecular weight of 245.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate is sourced from PubChem (CID 72745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).