2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide

C15H21FN2O2 — CID 63372745

IUPAC2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
SMILESC[C@@H](O)c1cc(F)ccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21FN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)/t10-/m1/s1
InChIKeyAEKKQIDFCDPGBA-SNVBAGLBSA-N
MW280.34 g/mol
LogP1.97
Rot. Bonds4

About 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide

2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide (PubChem CID 63372745) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
PubChem CID63372745
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
SMILESC[C@@H](O)c1cc(F)ccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21FN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)/t10-/m1/s1
InChIKeyAEKKQIDFCDPGBA-SNVBAGLBSA-N
XLogP1.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970351
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
1-[4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-1-yl]ethanone
CID 78940715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide (CID 63372745) is 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide is C[C@@H](O)c1cc(F)ccc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide?
The InChIKey is AEKKQIDFCDPGBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)/t10-/m1/s1.
What are the key properties of 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide?
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 63372745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).