2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide

C15H20F2N2O2 — CID 111565375

IUPAC2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O2/c16-11-3-4-13(17)12(7-11)14(20)9-19-5-1-2-10(8-19)6-15(18)21/h3-4,7,10,14,20H,1-2,5-6,8-9H2,(H2,18,21)
InChIKeyKRZDJEZSAKDAJF-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide

2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide (PubChem CID 111565375) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
PubChem CID111565375
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O2/c16-11-3-4-13(17)12(7-11)14(20)9-19-5-1-2-10(8-19)6-15(18)21/h3-4,7,10,14,20H,1-2,5-6,8-9H2,(H2,18,21)
InChIKeyKRZDJEZSAKDAJF-UHFFFAOYSA-N
XLogP1.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
CID 111118057
1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 71889221
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-3-yl]acetamide
CID 119035061
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide (CID 111565375) is 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide is NC(=O)CC1CCCN(CC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide?
The InChIKey is KRZDJEZSAKDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-11-3-4-13(17)12(7-11)14(20)9-19-5-1-2-10(8-19)6-15(18)21/h3-4,7,10,14,20H,1-2,5-6,8-9H2,(H2,18,21).
What are the key properties of 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide?
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide has a molecular weight of 298.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 111565375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).