1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine

C20H24FNO2 — CID 90197963

IUPAC1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
SMILESFc1ccc(CN2CCC(CCOOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24FNO2/c21-19-8-6-18(7-9-19)16-22-13-10-17(11-14-22)12-15-23-24-20-4-2-1-3-5-20/h1-9,17H,10-16H2
InChIKeyNPBPSFRWGFTTSQ-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.44
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine

1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine (PubChem CID 90197963) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
PubChem CID90197963
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
SMILESFc1ccc(CN2CCC(CCOOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24FNO2/c21-19-8-6-18(7-9-19)16-22-13-10-17(11-14-22)12-15-23-24-20-4-2-1-3-5-20/h1-9,17H,10-16H2
InChIKeyNPBPSFRWGFTTSQ-UHFFFAOYSA-N
XLogP4.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]azepane
CID 110826346
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole
CID 22068435
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine (CID 90197963) is 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine is Fc1ccc(CN2CCC(CCOOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine?
The InChIKey is NPBPSFRWGFTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-8-6-18(7-9-19)16-22-13-10-17(11-14-22)12-15-23-24-20-4-2-1-3-5-20/h1-9,17H,10-16H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine?
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine has a molecular weight of 329.42 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine is sourced from PubChem (CID 90197963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).