4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine

C18H20FNS — CID 88652674

IUPAC4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine
SMILESFc1ccc(CC2CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20FNS/c19-17-8-6-15(7-9-17)14-16-10-12-20(13-11-16)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2
InChIKeyATIACXVPHROIKF-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.79
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine

4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine (PubChem CID 88652674) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine
PubChem CID88652674
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC Name4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine
SMILESFc1ccc(CC2CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20FNS/c19-17-8-6-15(7-9-17)14-16-10-12-20(13-11-16)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2
InChIKeyATIACXVPHROIKF-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
CID 22351223
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
4-[(4-fluorophenyl)methyl]-1-(2-naphthalen-2-ylethyl)piperidine
CID 14280679
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
4-benzyl-1-methylpiperidine;ethane
CID 142009767

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine (CID 88652674) is 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine is Fc1ccc(CC2CCN(Sc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine?
The InChIKey is ATIACXVPHROIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c19-17-8-6-15(7-9-17)14-16-10-12-20(13-11-16)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine?
4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine has a molecular weight of 301.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-phenylsulfanylpiperidine is sourced from PubChem (CID 88652674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).