4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine

C22H28FNS — CID 142912990

IUPAC4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
SMILESFc1ccc(SCCC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FNS/c23-21-8-10-22(11-9-21)25-18-14-20-12-16-24(17-13-20)15-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2
InChIKeyDVWQSFQYQZVWCE-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.65
Rot. Bonds8

About 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine

4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine (PubChem CID 142912990) has the molecular formula C22H28FNS and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
PubChem CID142912990
Molecular FormulaC22H28FNS
Molecular Weight357.54 g/mol
Exact Mass357.19
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
SMILESFc1ccc(SCCC2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FNS/c23-21-8-10-22(11-9-21)25-18-14-20-12-16-24(17-13-20)15-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2
InChIKeyDVWQSFQYQZVWCE-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10812888
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
CID 112804427
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine
CID 142033499
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine (CID 142912990) is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine is Fc1ccc(SCCC2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine?
The InChIKey is DVWQSFQYQZVWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNS/c23-21-8-10-22(11-9-21)25-18-14-20-12-16-24(17-13-20)15-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine?
4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine has a molecular weight of 357.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 142912990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).