(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid

C17H24N2O3S — CID 97282266

IUPAC(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)[C@@H](c1ccc(O)cc1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C17H24N2O3S/c20-15-3-1-13(2-4-15)16(17(21)22)19-7-5-14(6-8-19)18-9-11-23-12-10-18/h1-4,14,16,20H,5-12H2,(H,21,22)/t16-/m1/s1
InChIKeyFGFXQMXLOGKSDC-MRXNPFEDSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid

(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid (PubChem CID 97282266) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
PubChem CID97282266
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)[C@@H](c1ccc(O)cc1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C17H24N2O3S/c20-15-3-1-13(2-4-15)16(17(21)22)19-7-5-14(6-8-19)18-9-11-23-12-10-18/h1-4,14,16,20H,5-12H2,(H,21,22)/t16-/m1/s1
InChIKeyFGFXQMXLOGKSDC-MRXNPFEDSA-N
XLogP2.03
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
CID 97208156
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 72934020
(2S)-2-(5-fluoro-2-methoxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
CID 97200141
4-[1-(1-phenylethyl)piperidin-4-yl]thiomorpholine
CID 171335572
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiomorpholin-4-ylacetic acid
CID 97191408
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
(2S)-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 97201917
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 95388464
2-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 69143254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid?
The IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid (CID 97282266) is (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid?
The canonical SMILES for (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid is O=C(O)[C@@H](c1ccc(O)cc1)N1CCC(N2CCSCC2)CC1.
What is the InChIKey of (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid?
The InChIKey is FGFXQMXLOGKSDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-15-3-1-13(2-4-15)16(17(21)22)19-7-5-14(6-8-19)18-9-11-23-12-10-18/h1-4,14,16,20H,5-12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid?
(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid has a molecular weight of 336.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 97282266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).