1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine

C21H22FN — CID 71505250

IUPAC1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
SMILESFC(/C=C\c1ccccc1)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22FN/c22-21(12-11-18-7-3-1-4-8-18)20-13-15-23(16-14-20)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11-
InChIKeyJVYQLLVLHCGSEV-QXMHVHEDSA-N
MW307.41 g/mol
LogP5.22
Rot. Bonds4

About 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine

1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine (PubChem CID 71505250) has the molecular formula C21H22FN and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
PubChem CID71505250
Molecular FormulaC21H22FN
Molecular Weight307.41 g/mol
Exact Mass307.17
IUPAC Name1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
SMILESFC(/C=C\c1ccccc1)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22FN/c22-21(12-11-18-7-3-1-4-8-18)20-13-15-23(16-14-20)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11-
InChIKeyJVYQLLVLHCGSEV-QXMHVHEDSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine
CID 86242123
1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
CID 86242127
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 897622
2-(1-benzylpiperidin-4-ylidene)propanenitrile
CID 20686977
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine?
The IUPAC name of 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine (CID 71505250) is 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine.
What is the SMILES notation for 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine?
The canonical SMILES for 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine is FC(/C=C\c1ccccc1)=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine?
The InChIKey is JVYQLLVLHCGSEV-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H22FN/c22-21(12-11-18-7-3-1-4-8-18)20-13-15-23(16-14-20)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11-.
What are the key properties of 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine?
1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine has a molecular weight of 307.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine is sourced from PubChem (CID 71505250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).