2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine

C17H24FNO2 — CID 174425984

IUPAC2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCCCC2CC2OCCO2)cc1
InChIInChI=1S/C17H24FNO2/c18-15-6-4-14(5-7-15)8-10-19-9-2-1-3-16(19)13-17-20-11-12-21-17/h4-7,16-17H,1-3,8-13H2
InChIKeyTXLRJKAASBSEGS-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.99
Rot. Bonds5

About 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine

2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine (PubChem CID 174425984) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
PubChem CID174425984
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCCCC2CC2OCCO2)cc1
InChIInChI=1S/C17H24FNO2/c18-15-6-4-14(5-7-15)8-10-19-9-2-1-3-16(19)13-17-20-11-12-21-17/h4-7,16-17H,1-3,8-13H2
InChIKeyTXLRJKAASBSEGS-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine (CID 174425984) is 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine is Fc1ccc(CCN2CCCCC2CC2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The InChIKey is TXLRJKAASBSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-15-6-4-14(5-7-15)8-10-19-9-2-1-3-16(19)13-17-20-11-12-21-17/h4-7,16-17H,1-3,8-13H2.
What are the key properties of 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine has a molecular weight of 293.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylmethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 174425984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).