2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide

C15H21FN2O2 — CID 110892661

IUPAC2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c16-13-4-2-1-3-12(13)14(19)10-18-7-5-11(6-8-18)9-15(17)20/h1-4,11,14,19H,5-10H2,(H2,17,20)
InChIKeyRDMPPBPMIZWBSS-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide

2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide (PubChem CID 110892661) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
PubChem CID110892661
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c16-13-4-2-1-3-12(13)14(19)10-18-7-5-11(6-8-18)9-15(17)20/h1-4,11,14,19H,5-10H2,(H2,17,20)
InChIKeyRDMPPBPMIZWBSS-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide (CID 110892661) is 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
The InChIKey is RDMPPBPMIZWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-4-2-1-3-12(13)14(19)10-18-7-5-11(6-8-18)9-15(17)20/h1-4,11,14,19H,5-10H2,(H2,17,20).
What are the key properties of 2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide?
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.45, 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-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110892661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).