4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride

C18H23Cl2FN2OS — CID 141037032

IUPAC4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride
SMILESCl.Cl.O=S(c1ccncc1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2OS.2ClH/c19-16-3-1-15(2-4-16)7-12-21-13-8-18(9-14-21)23(22)17-5-10-20-11-6-17;;/h1-6,10-11,18H,7-9,12-14H2;2*1H
InChIKeyNEGYEAVJKDEUFR-UHFFFAOYSA-N
MW405.37 g/mol
LogP3.88
Rot. Bonds5

About 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride

4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride (PubChem CID 141037032) has the molecular formula C18H23Cl2FN2OS and a molecular weight of 405.37 g/mol. Its IUPAC name is 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride.

Molecular Properties

Compound Name4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride
PubChem CID141037032
Molecular FormulaC18H23Cl2FN2OS
Molecular Weight405.37 g/mol
Exact Mass404.09
IUPAC Name4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride
SMILESCl.Cl.O=S(c1ccncc1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2OS.2ClH/c19-16-3-1-15(2-4-16)7-12-21-13-8-18(9-14-21)23(22)17-5-10-20-11-6-17;;/h1-6,10-11,18H,7-9,12-14H2;2*1H
InChIKeyNEGYEAVJKDEUFR-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
CID 141037036
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
CID 144881987
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
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1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 23377479
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 25450190

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride?
The IUPAC name of 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride (CID 141037032) is 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride.
What is the SMILES notation for 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride?
The canonical SMILES for 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride is Cl.Cl.O=S(c1ccncc1)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride?
The InChIKey is NEGYEAVJKDEUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS.2ClH/c19-16-3-1-15(2-4-16)7-12-21-13-8-18(9-14-21)23(22)17-5-10-20-11-6-17;;/h1-6,10-11,18H,7-9,12-14H2;2*1H.
What are the key properties of 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride?
4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride is sourced from PubChem (CID 141037032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).