1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine

C17H18FNS — CID 86242127

IUPAC1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
SMILESFC(=C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H18FNS/c18-17(16-7-4-12-20-16)15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyKTFRMFMJQNFSIM-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.72
Rot. Bonds3

About 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine

1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine (PubChem CID 86242127) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
PubChem CID86242127
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
SMILESFC(=C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H18FNS/c18-17(16-7-4-12-20-16)15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyKTFRMFMJQNFSIM-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine
CID 86242123
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine
CID 22301047
1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
CID 71505250
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
CID 10155112
N'-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 23298450
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
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
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine?
The IUPAC name of 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine (CID 86242127) is 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine.
What is the SMILES notation for 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine?
The canonical SMILES for 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine is FC(=C1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine?
The InChIKey is KTFRMFMJQNFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-17(16-7-4-12-20-16)15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine?
1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine has a molecular weight of 287.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine is sourced from PubChem (CID 86242127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).