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

C23H22FN — CID 86242123

IUPAC1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine
SMILESFC(=C1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FN/c24-23(22-11-10-19-8-4-5-9-21(19)16-22)20-12-14-25(15-13-20)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
InChIKeyWXGYFLDXONKRTC-UHFFFAOYSA-N
MW331.43 g/mol
LogP5.82
Rot. Bonds3

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

1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine (PubChem CID 86242123) has the molecular formula C23H22FN and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine
PubChem CID86242123
Molecular FormulaC23H22FN
Molecular Weight331.43 g/mol
Exact Mass331.17
IUPAC Name1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine
SMILESFC(=C1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FN/c24-23(22-11-10-19-8-4-5-9-21(19)16-22)20-12-14-25(15-13-20)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
InChIKeyWXGYFLDXONKRTC-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
CID 86242127
1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
CID 71505250
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
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
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-naphthalen-2-ylbenzamide
CID 43919632
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
CID 6082743
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine?
The IUPAC name of 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine (CID 86242123) is 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine.
What is the SMILES notation for 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine?
The canonical SMILES for 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine is FC(=C1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine?
The InChIKey is WXGYFLDXONKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN/c24-23(22-11-10-19-8-4-5-9-21(19)16-22)20-12-14-25(15-13-20)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2.
What are the key properties of 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine?
1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine has a molecular weight of 331.43 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[fluoro(naphthalen-2-yl)methylidene]piperidine is sourced from PubChem (CID 86242123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).