4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine

C24H30FNO2 — CID 10714998

IUPAC4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
SMILESFc1ccc(C2(CCCN3CCC(Cc4ccccc4)CC3)OCCO2)cc1
InChIInChI=1S/C24H30FNO2/c25-23-9-7-22(8-10-23)24(27-17-18-28-24)13-4-14-26-15-11-21(12-16-26)19-20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-19H2
InChIKeyULWVRIYFAVHKLF-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.76
Rot. Bonds7

About 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine

4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine (PubChem CID 10714998) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
PubChem CID10714998
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
SMILESFc1ccc(C2(CCCN3CCC(Cc4ccccc4)CC3)OCCO2)cc1
InChIInChI=1S/C24H30FNO2/c25-23-9-7-22(8-10-23)24(27-17-18-28-24)13-4-14-26-15-11-21(12-16-26)19-20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-19H2
InChIKeyULWVRIYFAVHKLF-UHFFFAOYSA-N
XLogP4.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3034023
Dotarizine
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Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
Levoxadrol
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Oxapium
CID 4613
(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10496291
(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10782310
3-(2-(Bis(4-fluorophenyl)methoxy)ethylidene)-8-methyl-8-azabicyclo(3.2.1)octane
CID 401873
(1R,5S)-3-[(4-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10336462
4-[Bis(4-fluorophenyl)methoxy]-1-methylpiperidine
CID 11659699

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The IUPAC name of 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine (CID 10714998) is 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The canonical SMILES for 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine is Fc1ccc(C2(CCCN3CCC(Cc4ccccc4)CC3)OCCO2)cc1.
What is the InChIKey of 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
The InChIKey is ULWVRIYFAVHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2/c25-23-9-7-22(8-10-23)24(27-17-18-28-24)13-4-14-26-15-11-21(12-16-26)19-20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-19H2.
What are the key properties of 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine?
4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine has a molecular weight of 383.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine is sourced from PubChem (CID 10714998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).