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

C16H20FNO2 — CID 54101196

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCN(CCC3OCCO3)CC2)c1
InChIInChI=1S/C16H20FNO2/c17-15-3-1-2-14(12-15)13-4-7-18(8-5-13)9-6-16-19-10-11-20-16/h1-4,12,16H,5-11H2
InChIKeyNAPYEPNIZNLEMN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.68
Rot. Bonds4

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

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 54101196) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID54101196
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCN(CCC3OCCO3)CC2)c1
InChIInChI=1S/C16H20FNO2/c17-15-3-1-2-14(12-15)13-4-7-18(8-5-13)9-6-16-19-10-11-20-16/h1-4,12,16H,5-11H2
InChIKeyNAPYEPNIZNLEMN-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-[(2E)-3-(4-Fluorophenyl)prop-2-EN-1-YL]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74233789
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
8-[1-(4-Fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 51076811
8-(2,2,2-Trifluoro-1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 53619112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 54101196) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1cccc(C2=CCN(CCC3OCCO3)CC2)c1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NAPYEPNIZNLEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-15-3-1-2-14(12-15)13-4-7-18(8-5-13)9-6-16-19-10-11-20-16/h1-4,12,16H,5-11H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 277.34 g/mol, XLogP of 2.68, 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-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 54101196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).