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

C22H26FNO2 — CID 139612235

IUPAC1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
SMILESFc1ccc(CC2(C3CCCCN3Cc3ccccc3)OCCO2)cc1
InChIInChI=1S/C22H26FNO2/c23-20-11-9-18(10-12-20)16-22(25-14-15-26-22)21-8-4-5-13-24(21)17-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-17H2
InChIKeyPNGSFWLLOCSPJL-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.17
Rot. Bonds5

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

1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine (PubChem CID 139612235) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
PubChem CID139612235
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
SMILESFc1ccc(CC2(C3CCCCN3Cc3ccccc3)OCCO2)cc1
InChIInChI=1S/C22H26FNO2/c23-20-11-9-18(10-12-20)16-22(25-14-15-26-22)21-8-4-5-13-24(21)17-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-17H2
InChIKeyPNGSFWLLOCSPJL-UHFFFAOYSA-N
XLogP4.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-fluoropiperidine
CID 54431864
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-methylacetamide
CID 18933418
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine?
The IUPAC name of 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine (CID 139612235) is 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine.
What is the SMILES notation for 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine?
The canonical SMILES for 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine is Fc1ccc(CC2(C3CCCCN3Cc3ccccc3)OCCO2)cc1.
What is the InChIKey of 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine?
The InChIKey is PNGSFWLLOCSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c23-20-11-9-18(10-12-20)16-22(25-14-15-26-22)21-8-4-5-13-24(21)17-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-17H2.
What are the key properties of 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine?
1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine has a molecular weight of 355.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine is sourced from PubChem (CID 139612235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).