1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine

C20H22FN — CID 69121840

IUPAC1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1=Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN/c1-16-14-22(15-18-5-3-2-4-6-18)12-11-19(16)13-17-7-9-20(21)10-8-17/h2-10,13,16H,11-12,14-15H2,1H3
InChIKeyQKAKWKLVNCGWOR-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.75
Rot. Bonds3

About 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine

1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine (PubChem CID 69121840) has the molecular formula C20H22FN and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
PubChem CID69121840
Molecular FormulaC20H22FN
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
SMILESCC1CN(Cc2ccccc2)CCC1=Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN/c1-16-14-22(15-18-5-3-2-4-6-18)12-11-19(16)13-17-7-9-20(21)10-8-17/h2-10,13,16H,11-12,14-15H2,1H3
InChIKeyQKAKWKLVNCGWOR-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine
CID 23326050
(3E)-1-benzyl-3-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 135086172
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
(4E)-1-benzyl-4-butylidene-5-methylazepane
CID 135037379
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine?
The IUPAC name of 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine (CID 69121840) is 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine?
The canonical SMILES for 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine is CC1CN(Cc2ccccc2)CCC1=Cc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine?
The InChIKey is QKAKWKLVNCGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN/c1-16-14-22(15-18-5-3-2-4-6-18)12-11-19(16)13-17-7-9-20(21)10-8-17/h2-10,13,16H,11-12,14-15H2,1H3.
What are the key properties of 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine?
1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine has a molecular weight of 295.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine is sourced from PubChem (CID 69121840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).