1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

C16H21NO2 — CID 15192606

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CCC2OCCO2)C1
InChIInChI=1S/C16H21NO2/c1-2-4-14(5-3-1)15-6-9-17(10-7-15)11-8-16-18-12-13-19-16/h1-6,16H,7-13H2
InChIKeyDKUUBSMSLBAQDK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 15192606) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID15192606
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CCC2OCCO2)C1
InChIInChI=1S/C16H21NO2/c1-2-4-14(5-3-1)15-6-9-17(10-7-15)11-8-16-18-12-13-19-16/h1-6,16H,7-13H2
InChIKeyDKUUBSMSLBAQDK-UHFFFAOYSA-N
XLogP2.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AJ-190/13485012
CID 899309
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467323
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 15192595
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 15192597
8-[3-[2-(4-Fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 22977307
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 54101196
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 54342533
2-(1,3-Dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 174425984
N-benzyl-4,4-diethoxy-N-methylbutan-1-amine
CID 13994545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 15192606) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is C1=C(c2ccccc2)CCN(CCC2OCCO2)C1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is DKUUBSMSLBAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-14(5-3-1)15-6-9-17(10-7-15)11-8-16-18-12-13-19-16/h1-6,16H,7-13H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 259.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15192606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).