(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide

C15H21FN2O3 — CID 129489869

IUPAC(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3/c16-12-3-1-10(2-4-12)13(19)9-18-7-5-11(6-8-18)14(20)15(17)21/h1-4,11,13-14,19-20H,5-9H2,(H2,17,21)/t13-,14-/m0/s1
InChIKeyFPGOSBNVPZTOMR-KBPBESRZSA-N
MW296.34 g/mol
LogP0.42
Rot. Bonds5

About (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide

(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 129489869) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
PubChem CID129489869
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3/c16-12-3-1-10(2-4-12)13(19)9-18-7-5-11(6-8-18)14(20)15(17)21/h1-4,11,13-14,19-20H,5-9H2,(H2,17,21)/t13-,14-/m0/s1
InChIKeyFPGOSBNVPZTOMR-KBPBESRZSA-N
XLogP0.42
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
4-[1-hydroxy-2-(4-propan-2-ylpiperidin-1-yl)ethyl]benzenecarbothioamide
CID 103495780
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide (CID 129489869) is (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide is NC(=O)[C@@H](O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is FPGOSBNVPZTOMR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-12-3-1-10(2-4-12)13(19)9-18-7-5-11(6-8-18)14(20)15(17)21/h1-4,11,13-14,19-20H,5-9H2,(H2,17,21)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide?
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 296.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129489869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).