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

C19H27FN2O2 — CID 111496584

IUPAC1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-6-2-1-5-16(17)18(23)14-21-11-8-15(9-12-21)13-22-10-4-3-7-19(22)24/h1-2,5-6,15,18,23H,3-4,7-14H2
InChIKeyHLYACMMAUZFCID-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.58
Rot. Bonds5

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

1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 111496584) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID111496584
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O2/c20-17-6-2-1-5-16(17)18(23)14-21-11-8-15(9-12-21)13-22-10-4-3-7-19(22)24/h1-2,5-6,15,18,23H,3-4,7-14H2
InChIKeyHLYACMMAUZFCID-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496583
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
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-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 99799044
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
1-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70773529

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one (CID 111496584) is 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is HLYACMMAUZFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-6-2-1-5-16(17)18(23)14-21-11-8-15(9-12-21)13-22-10-4-3-7-19(22)24/h1-2,5-6,15,18,23H,3-4,7-14H2.
What are the key properties of 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 334.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 111496584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).