1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine

C18H19ClFN — CID 18675820

IUPAC1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
SMILESFC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClFN/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyNJKHUYNYUNZYBO-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.80
Rot. Bonds3

About 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine

1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine (PubChem CID 18675820) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
PubChem CID18675820
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
SMILESFC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19ClFN/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyNJKHUYNYUNZYBO-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
CID 121205306
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
8-benzyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
CID 18801217
1-benzyl-4-(4-fluoro-3-methylphenyl)piperidine-4-carbonitrile
CID 70261851
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine?
The IUPAC name of 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine (CID 18675820) is 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine.
What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine?
The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine is FC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine?
The InChIKey is NJKHUYNYUNZYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine?
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine has a molecular weight of 303.81 g/mol, XLogP of 4.80, 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-chlorophenyl)-4-fluoropiperidine is sourced from PubChem (CID 18675820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).