(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol

C21H27FN4O4S — CID 32605808

IUPAC(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H27FN4O4S/c22-18-3-1-17(2-4-18)20(27)16-24-7-9-25(10-8-24)21-6-5-19(15-23-21)31(28,29)26-11-13-30-14-12-26/h1-6,15,20,27H,7-14,16H2/t20-/m1/s1
InChIKeyWYZDPNXXCOELFR-HXUWFJFHSA-N
MW450.54 g/mol
LogP1.10
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol

(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 32605808) has the molecular formula C21H27FN4O4S and a molecular weight of 450.54 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
PubChem CID32605808
Molecular FormulaC21H27FN4O4S
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H27FN4O4S/c22-18-3-1-17(2-4-18)20(27)16-24-7-9-25(10-8-24)21-6-5-19(15-23-21)31(28,29)26-11-13-30-14-12-26/h1-6,15,20,27H,7-14,16H2/t20-/m1/s1
InChIKeyWYZDPNXXCOELFR-HXUWFJFHSA-N
XLogP1.10
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol with MolForge

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Related Compounds

4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
CID 23154459
(1R)-1-(4-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189249
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 134018579
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol (CID 32605808) is (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol is O=S(=O)(c1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol?
The InChIKey is WYZDPNXXCOELFR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27FN4O4S/c22-18-3-1-17(2-4-18)20(27)16-24-7-9-25(10-8-24)21-6-5-19(15-23-21)31(28,29)26-11-13-30-14-12-26/h1-6,15,20,27H,7-14,16H2/t20-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol?
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol has a molecular weight of 450.54 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 32605808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).